lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride

C99H144AlCl5FK2LiN22NaO10S6+ — CID 158863794

IUPAClithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride
SMILESCCOC(=O)C1CCc2sc3ncnc(Cl)c3c21.CCOC(=O)C1CCc2sc3ncnc(NC4CCC(N(C)C)CC4)c3c21.CN(C)C1CCC(N)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CC#N)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CCl)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CO)CC4)CC1.CO.Cl.O=S(Cl)Cl.[2H]C(=O)OO[CH-]F.[AlH3].[C-]#N.[H-].[K+].[K+].[Li+].[Na+]
InChIInChI=1S/C20H28N4O2S.C19H25N5S.C18H25ClN4S.C18H26N4OS.C12H11ClN2O2S.C8H18N2.C2H2FO3.CN.CH4O.Al.Cl2OS.ClH.2K.Li.Na.4H/c1-4-26-20(25)14-9-10-15-16(14)17-18(21-11-22-19(17)27-15)23-12-5-7-13(8-6-12)24(2)3;1-24(2)14-6-4-13(5-7-14)23-18-17-16-12(9-10-20)3-8-15(16)25-19(17)22-11-21-18;1-23(2)13-6-4-12(5-7-13)22-17-16-15-11(9-19)3-8-14(15)24-18(16)21-10-20-17;1-22(2)13-6-4-12(5-7-13)21-17-16-15-11(9-23)3-8-14(15)24-18(16)20-10-19-17;1-2-17-12(16)6-3-4-7-8(6)9-10(13)14-5-15-11(9)18-7;1-10(2)8-5-3-7(9)4-6-8;3-1-5-6-2-4;2*1-2;;1-4(2)3;;;;;;;;;/h11-14H,4-10H2,1-3H3,(H,21,22,23);11-14H,3-9H2,1-2H3,(H,21,22,23);10-13H,3-9H2,1-2H3,(H,20,21,22);10-13,23H,3-9H2,1-2H3,(H,19,20,21);5-6H,2-4H2,1H3;7-8H,3-6,9H2,1-2H3;1-2H;;2H,1H3;;;1H;;;;;;;;/q;;;;;;2*-1;;;;;4*+1;;;;-1/i;;;;;;2D;;;;;;;;;;;;;
InChIKeyWOQSDPRKFAWFRX-ADMORTEPSA-N
MW2327.17 g/mol
LogP6.78
Rot. Bonds22

About lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride

lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride (PubChem CID 158863794) has the molecular formula C99H144AlCl5FK2LiN22NaO10S6+ and a molecular weight of 2327.17 g/mol. Its IUPAC name is lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride.

Molecular Properties

Compound Namelithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride
PubChem CID158863794
Molecular FormulaC99H144AlCl5FK2LiN22NaO10S6+
Molecular Weight2327.17 g/mol
Exact Mass2322.74
IUPAC Namelithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride
SMILESCCOC(=O)C1CCc2sc3ncnc(Cl)c3c21.CCOC(=O)C1CCc2sc3ncnc(NC4CCC(N(C)C)CC4)c3c21.CN(C)C1CCC(N)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CC#N)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CCl)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CO)CC4)CC1.CO.Cl.O=S(Cl)Cl.[2H]C(=O)OO[CH-]F.[AlH3].[C-]#N.[H-].[K+].[K+].[Li+].[Na+]
InChIInChI=1S/C20H28N4O2S.C19H25N5S.C18H25ClN4S.C18H26N4OS.C12H11ClN2O2S.C8H18N2.C2H2FO3.CN.CH4O.Al.Cl2OS.ClH.2K.Li.Na.4H/c1-4-26-20(25)14-9-10-15-16(14)17-18(21-11-22-19(17)27-15)23-12-5-7-13(8-6-12)24(2)3;1-24(2)14-6-4-13(5-7-14)23-18-17-16-12(9-10-20)3-8-15(16)25-19(17)22-11-21-18;1-23(2)13-6-4-12(5-7-13)22-17-16-15-11(9-19)3-8-14(15)24-18(16)21-10-20-17;1-22(2)13-6-4-12(5-7-13)21-17-16-15-11(9-23)3-8-14(15)24-18(16)20-10-19-17;1-2-17-12(16)6-3-4-7-8(6)9-10(13)14-5-15-11(9)18-7;1-10(2)8-5-3-7(9)4-6-8;3-1-5-6-2-4;2*1-2;;1-4(2)3;;;;;;;;;/h11-14H,4-10H2,1-3H3,(H,21,22,23);11-14H,3-9H2,1-2H3,(H,21,22,23);10-13H,3-9H2,1-2H3,(H,20,21,22);10-13,23H,3-9H2,1-2H3,(H,19,20,21);5-6H,2-4H2,1H3;7-8H,3-6,9H2,1-2H3;1-2H;;2H,1H3;;;1H;;;;;;;;/q;;;;;;2*-1;;;;;4*+1;;;;-1/i;;;;;;2D;;;;;;;;;;;;;
InChIKeyWOQSDPRKFAWFRX-ADMORTEPSA-N
XLogP6.78
TPSA412.48 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds22
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002327.17
LogP ≤ 56.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride?
The IUPAC name of lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride (CID 158863794) is lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride.
What is the SMILES notation for lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride?
The canonical SMILES for lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride is CCOC(=O)C1CCc2sc3ncnc(Cl)c3c21.CCOC(=O)C1CCc2sc3ncnc(NC4CCC(N(C)C)CC4)c3c21.CN(C)C1CCC(N)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CC#N)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CCl)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CO)CC4)CC1.CO.Cl.O=S(Cl)Cl.[2H]C(=O)OO[CH-]F.[AlH3].[C-]#N.[H-].[K+].[K+].[Li+].[Na+].
What is the InChIKey of lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride?
The InChIKey is WOQSDPRKFAWFRX-ADMORTEPSA-N. The full InChI is InChI=1S/C20H28N4O2S.C19H25N5S.C18H25ClN4S.C18H26N4OS.C12H11ClN2O2S.C8H18N2.C2H2FO3.CN.CH4O.Al.Cl2OS.ClH.2K.Li.Na.4H/c1-4-26-20(25)14-9-10-15-16(14)17-18(21-11-22-19(17)27-15)23-12-5-7-13(8-6-12)24(2)3;1-24(2)14-6-4-13(5-7-14)23-18-17-16-12(9-10-20)3-8-15(16)25-19(17)22-11-21-18;1-23(2)13-6-4-12(5-7-13)22-17-16-15-11(9-19)3-8-14(15)24-18(16)21-10-20-17;1-22(2)13-6-4-12(5-7-13)21-17-16-15-11(9-23)3-8-14(15)24-18(16)20-10-19-17;1-2-17-12(16)6-3-4-7-8(6)9-10(13)14-5-15-11(9)18-7;1-10(2)8-5-3-7(9)4-6-8;3-1-5-6-2-4;2*1-2;;1-4(2)3;;;;;;;;;/h11-14H,4-10H2,1-3H3,(H,21,22,23);11-14H,3-9H2,1-2H3,(H,21,22,23);10-13H,3-9H2,1-2H3,(H,20,21,22);10-13,23H,3-9H2,1-2H3,(H,19,20,21);5-6H,2-4H2,1H3;7-8H,3-6,9H2,1-2H3;1-2H;;2H,1H3;;;1H;;;;;;;;/q;;;;;;2*-1;;;;;4*+1;;;;-1/i;;;;;;2D;;;;;;;;;;;;;.
What are the key properties of lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride?
lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride has a molecular weight of 2327.17 g/mol, XLogP of 6.78, 22 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dipotassium;sodium;alumane;1-N-[3-(chloromethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetonitrile;[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol;4-N,4-N-dimethylcyclohexane-1,4-diamine;ethyl 12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3-carboxylate;ethyl 12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-3-carboxylate;fluoromethyl deuteriomethaneperoxoate;hydride;methanol;thionyl dichloride;cyanide;hydrochloride is sourced from PubChem (CID 158863794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).