calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide

C420H215BrCaCl3F14FeK2N23Na2O33P4S4 — CID 159068557

IUPACcalcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide
SMILESC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CCN(CC)CC.COc1ccc(CN)c(OC)c1.COc1ccc(CNc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(NC(=O)c3ccccc3)=N4)n2)c(OC)c1.C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@@]2(c2nc(Br)cs2)CO1.Cc1cc(N)cnc1C#N.Cc1cc(O)cnc1C#N.Cc1cc(OC(F)F)cnc1C#N.Cc1cc(OC(F)F)cnc1C(=O)O.Cc1cc(OC(F)F)cnc1C(=O)O.Cc1cc([N+](=O)[O-])cnc1C#N.Cc1cccnc1C#N.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=C([O-])C(F)(F)Cl.O=CO[O-].[Ca+2].[Cl-].[Cl-].[Fe].[H-].[K+].[K+].[Na+].[Na+].[OH-]
InChIInChI=1S/C39H4.2C38H2.C37H4.C36H6.C35H4.C34H2.C29H45P.C27H30N4O4S2.C18H18BrN3O2S2.C9H13NO2.C9H21O6P3.C8H6F2N2O.2C8H7F2NO3.C7H5N3O2.C7H7N3.C7H6N2O.C7H6N2.C6H15N.C6H2.C4F6O3.C2HClF2O2.CH2O3.Ca.2ClH.Fe.2K.2Na.H2O.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;1-17-11-20-14-37-26(30-24(32)18-7-5-4-6-8-18)31-27(20,16-35-17)25-29-23(15-36-25)28-13-19-9-10-21(33-2)12-22(19)34-3;1-11-7-13-8-26-17(21-15(23)12-5-3-2-4-6-12)22-18(13,10-24-11)16-20-14(19)9-25-16;1-11-8-4-3-7(6-10)9(5-8)12-2;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-5-2-6(13-8(9)10)4-12-7(5)3-11;2*1-4-2-5(14-8(9)10)3-11-6(4)7(12)13;1-5-2-6(10(11)12)4-9-7(5)3-8;1-5-2-6(9)4-10-7(5)3-8;1-5-2-6(10)4-9-7(5)3-8;1-6-3-2-4-9-7(6)5-8;1-4-7(5-2)6-3;1-3-5-6-4-2;5-3(6,7)1(11)13-2(12)4(8,9)10;3-2(4,5)1(6)7;2-1-4-3;;;;;;;;;;/h1H,2H3;2*1-2H;1H,2H3;1-2H3;1H,2H3;1-2H;13-21H,1-12H3;4-10,12,15,17,20,28H,11,13-14,16H2,1-3H3,(H,30,31,32);2-6,9,11,13H,7-8,10H2,1H3,(H,21,22,23);3-5H,6,10H2,1-2H3;4-9H2,1-3H3;2,4,8H,1H3;2*2-3,8H,1H3,(H,12,13);2,4H,1H3;2,4H,9H2,1H3;2,4,10H,1H3;2-4H,1H3;4-6H2,1-3H3;1-2H;;(H,6,7);1,3H;;2*1H;;;;;;1H2;/q;;;;;;;;;;;;;;;;;;;;;;;;+2;;;;4*+1;;-1/p-5/t;;;;;;;;17-,20-,27-;11-,13-,18-;;;;;;;;;;;;;;;;;;;;;;;;/m........00......................../s1
InChIKeyQYERZBVNIQJLQS-KAWUXVFRSA-I
MW7035.97 g/mol
LogP20.38
Rot. Bonds37

About calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide

calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide (PubChem CID 159068557) has the molecular formula C420H215BrCaCl3F14FeK2N23Na2O33P4S4 and a molecular weight of 7035.97 g/mol. Its IUPAC name is calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide.

Molecular Properties

Compound Namecalcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide
PubChem CID159068557
Molecular FormulaC420H215BrCaCl3F14FeK2N23Na2O33P4S4
Molecular Weight7035.97 g/mol
Exact Mass7027.98
IUPAC Namecalcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide
SMILESC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CCN(CC)CC.COc1ccc(CN)c(OC)c1.COc1ccc(CNc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(NC(=O)c3ccccc3)=N4)n2)c(OC)c1.C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@@]2(c2nc(Br)cs2)CO1.Cc1cc(N)cnc1C#N.Cc1cc(O)cnc1C#N.Cc1cc(OC(F)F)cnc1C#N.Cc1cc(OC(F)F)cnc1C(=O)O.Cc1cc(OC(F)F)cnc1C(=O)O.Cc1cc([N+](=O)[O-])cnc1C#N.Cc1cccnc1C#N.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=C([O-])C(F)(F)Cl.O=CO[O-].[Ca+2].[Cl-].[Cl-].[Fe].[H-].[K+].[K+].[Na+].[Na+].[OH-]
InChIInChI=1S/C39H4.2C38H2.C37H4.C36H6.C35H4.C34H2.C29H45P.C27H30N4O4S2.C18H18BrN3O2S2.C9H13NO2.C9H21O6P3.C8H6F2N2O.2C8H7F2NO3.C7H5N3O2.C7H7N3.C7H6N2O.C7H6N2.C6H15N.C6H2.C4F6O3.C2HClF2O2.CH2O3.Ca.2ClH.Fe.2K.2Na.H2O.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;1-17-11-20-14-37-26(30-24(32)18-7-5-4-6-8-18)31-27(20,16-35-17)25-29-23(15-36-25)28-13-19-9-10-21(33-2)12-22(19)34-3;1-11-7-13-8-26-17(21-15(23)12-5-3-2-4-6-12)22-18(13,10-24-11)16-20-14(19)9-25-16;1-11-8-4-3-7(6-10)9(5-8)12-2;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-5-2-6(13-8(9)10)4-12-7(5)3-11;2*1-4-2-5(14-8(9)10)3-11-6(4)7(12)13;1-5-2-6(10(11)12)4-9-7(5)3-8;1-5-2-6(9)4-10-7(5)3-8;1-5-2-6(10)4-9-7(5)3-8;1-6-3-2-4-9-7(6)5-8;1-4-7(5-2)6-3;1-3-5-6-4-2;5-3(6,7)1(11)13-2(12)4(8,9)10;3-2(4,5)1(6)7;2-1-4-3;;;;;;;;;;/h1H,2H3;2*1-2H;1H,2H3;1-2H3;1H,2H3;1-2H;13-21H,1-12H3;4-10,12,15,17,20,28H,11,13-14,16H2,1-3H3,(H,30,31,32);2-6,9,11,13H,7-8,10H2,1H3,(H,21,22,23);3-5H,6,10H2,1-2H3;4-9H2,1-3H3;2,4,8H,1H3;2*2-3,8H,1H3,(H,12,13);2,4H,1H3;2,4H,9H2,1H3;2,4,10H,1H3;2-4H,1H3;4-6H2,1-3H3;1-2H;;(H,6,7);1,3H;;2*1H;;;;;;1H2;/q;;;;;;;;;;;;;;;;;;;;;;;;+2;;;;4*+1;;-1/p-5/t;;;;;;;;17-,20-,27-;11-,13-,18-;;;;;;;;;;;;;;;;;;;;;;;;/m........00......................../s1
InChIKeyQYERZBVNIQJLQS-KAWUXVFRSA-I
XLogP20.38
TPSA847.99 Ų
H-Bond Donors8
H-Bond Acceptors55
Rotatable Bonds37
Heavy Atoms508
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007035.97
LogP ≤ 520.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1055

Analyze calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide?
The IUPAC name of calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide (CID 159068557) is calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide.
What is the SMILES notation for calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide?
The canonical SMILES for calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide is C#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CCN(CC)CC.COc1ccc(CN)c(OC)c1.COc1ccc(CNc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(NC(=O)c3ccccc3)=N4)n2)c(OC)c1.C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@@]2(c2nc(Br)cs2)CO1.Cc1cc(N)cnc1C#N.Cc1cc(O)cnc1C#N.Cc1cc(OC(F)F)cnc1C#N.Cc1cc(OC(F)F)cnc1C(=O)O.Cc1cc(OC(F)F)cnc1C(=O)O.Cc1cc([N+](=O)[O-])cnc1C#N.Cc1cccnc1C#N.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=C([O-])C(F)(F)Cl.O=CO[O-].[Ca+2].[Cl-].[Cl-].[Fe].[H-].[K+].[K+].[Na+].[Na+].[OH-].
What is the InChIKey of calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide?
The InChIKey is QYERZBVNIQJLQS-KAWUXVFRSA-I. The full InChI is InChI=1S/C39H4.2C38H2.C37H4.C36H6.C35H4.C34H2.C29H45P.C27H30N4O4S2.C18H18BrN3O2S2.C9H13NO2.C9H21O6P3.C8H6F2N2O.2C8H7F2NO3.C7H5N3O2.C7H7N3.C7H6N2O.C7H6N2.C6H15N.C6H2.C4F6O3.C2HClF2O2.CH2O3.Ca.2ClH.Fe.2K.2Na.H2O.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;1-17-11-20-14-37-26(30-24(32)18-7-5-4-6-8-18)31-27(20,16-35-17)25-29-23(15-36-25)28-13-19-9-10-21(33-2)12-22(19)34-3;1-11-7-13-8-26-17(21-15(23)12-5-3-2-4-6-12)22-18(13,10-24-11)16-20-14(19)9-25-16;1-11-8-4-3-7(6-10)9(5-8)12-2;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-5-2-6(13-8(9)10)4-12-7(5)3-11;2*1-4-2-5(14-8(9)10)3-11-6(4)7(12)13;1-5-2-6(10(11)12)4-9-7(5)3-8;1-5-2-6(9)4-10-7(5)3-8;1-5-2-6(10)4-9-7(5)3-8;1-6-3-2-4-9-7(6)5-8;1-4-7(5-2)6-3;1-3-5-6-4-2;5-3(6,7)1(11)13-2(12)4(8,9)10;3-2(4,5)1(6)7;2-1-4-3;;;;;;;;;;/h1H,2H3;2*1-2H;1H,2H3;1-2H3;1H,2H3;1-2H;13-21H,1-12H3;4-10,12,15,17,20,28H,11,13-14,16H2,1-3H3,(H,30,31,32);2-6,9,11,13H,7-8,10H2,1H3,(H,21,22,23);3-5H,6,10H2,1-2H3;4-9H2,1-3H3;2,4,8H,1H3;2*2-3,8H,1H3,(H,12,13);2,4H,1H3;2,4H,9H2,1H3;2,4,10H,1H3;2-4H,1H3;4-6H2,1-3H3;1-2H;;(H,6,7);1,3H;;2*1H;;;;;;1H2;/q;;;;;;;;;;;;;;;;;;;;;;;;+2;;;;4*+1;;-1/p-5/t;;;;;;;;17-,20-,27-;11-,13-,18-;;;;;;;;;;;;;;;;;;;;;;;;/m........00......................../s1.
What are the key properties of calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide?
calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide has a molecular weight of 7035.97 g/mol, XLogP of 20.38, 37 rotatable bonds, 8 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dipotassium;disodium;N-[(4aR,6S,8aR)-8a-(4-bromo-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;5-amino-3-methylpyridine-2-carbonitrile;2-chloro-2,2-difluoroacetate;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;N,N-diethylethanamine;5-(difluoromethoxy)-3-methylpyridine-2-carbonitrile;bis(5-(difluoromethoxy)-3-methylpyridine-2-carboxylic acid);(2,4-dimethoxyphenyl)methanamine;heptatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecayne;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;hexa-1,3,5-triyne;hydride;5-hydroxy-3-methylpyridine-2-carbonitrile;iron;3-methyl-5-nitropyridine-2-carbonitrile;3-methylpyridine-2-carbonitrile;nonatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne;bis(octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne);oxido formate;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;dichloride;hydroxide is sourced from PubChem (CID 159068557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).