tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate

C102H127ClF15IN20O14S2 — CID 165019124

IUPACtert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate
SMILESC.C.C.C.CC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CCN(c5ccc(C#N)c(C(F)(F)F)c5)CC4)ccc3OCC)nn12.N#Cc1ccc(I)cc1C(F)(F)F.N#Cc1ccc(N2CCC([NH3+])CC2)cc1C(F)(F)F.O=C([O-])C(F)(F)F
InChIInChI=1S/C30H32F3N7O4S.C18H22F3N3O2.C17H19ClN4O4S.C13H14F3N3.C10H20N2O2.C8H3F3IN.C2HF3O2.4CH4/c1-4-6-26-35-18(3)27-29(41)36-28(37-40(26)27)23-16-22(9-10-25(23)44-5-2)45(42,43)38-20-11-13-39(14-12-20)21-8-7-19(17-34)24(15-21)30(31,32)33;1-17(2,3)26-16(25)23-13-6-8-24(9-7-13)14-5-4-12(11-22)15(10-14)18(19,20)21;1-4-6-14-19-10(3)15-17(23)20-16(21-22(14)15)12-9-11(27(18,24)25)7-8-13(12)26-5-2;14-13(15,16)12-7-11(2-1-9(12)8-17)19-5-3-10(18)4-6-19;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;9-8(10,11)7-3-6(12)2-1-5(7)4-13;3-2(4,5)1(6)7;;;;/h7-10,15-16,20,38H,4-6,11-14H2,1-3H3,(H,36,37,41);4-5,10,13H,6-9H2,1-3H3,(H,23,25);7-9H,4-6H2,1-3H3,(H,20,21,23);1-2,7,10H,3-6,18H2;8,11H,4-7H2,1-3H3,(H,12,13);1-3H;(H,6,7);4*1H4
InChIKeyQPUHOZPJOWYHCV-UHFFFAOYSA-N
MW2368.72 g/mol
LogP19.40
Rot. Bonds19

About tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate

tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate (PubChem CID 165019124) has the molecular formula C102H127ClF15IN20O14S2 and a molecular weight of 2368.72 g/mol. Its IUPAC name is tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate
PubChem CID165019124
Molecular FormulaC102H127ClF15IN20O14S2
Molecular Weight2368.72 g/mol
Exact Mass2366.78
IUPAC Nametert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate
SMILESC.C.C.C.CC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CCN(c5ccc(C#N)c(C(F)(F)F)c5)CC4)ccc3OCC)nn12.N#Cc1ccc(I)cc1C(F)(F)F.N#Cc1ccc(N2CCC([NH3+])CC2)cc1C(F)(F)F.O=C([O-])C(F)(F)F
InChIInChI=1S/C30H32F3N7O4S.C18H22F3N3O2.C17H19ClN4O4S.C13H14F3N3.C10H20N2O2.C8H3F3IN.C2HF3O2.4CH4/c1-4-6-26-35-18(3)27-29(41)36-28(37-40(26)27)23-16-22(9-10-25(23)44-5-2)45(42,43)38-20-11-13-39(14-12-20)21-8-7-19(17-34)24(15-21)30(31,32)33;1-17(2,3)26-16(25)23-13-6-8-24(9-7-13)14-5-4-12(11-22)15(10-14)18(19,20)21;1-4-6-14-19-10(3)15-17(23)20-16(21-22(14)15)12-9-11(27(18,24)25)7-8-13(12)26-5-2;14-13(15,16)12-7-11(2-1-9(12)8-17)19-5-3-10(18)4-6-19;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;9-8(10,11)7-3-6(12)2-1-5(7)4-13;3-2(4,5)1(6)7;;;;/h7-10,15-16,20,38H,4-6,11-14H2,1-3H3,(H,36,37,41);4-5,10,13H,6-9H2,1-3H3,(H,23,25);7-9H,4-6H2,1-3H3,(H,20,21,23);1-2,7,10H,3-6,18H2;8,11H,4-7H2,1-3H3,(H,12,13);1-3H;(H,6,7);4*1H4
InChIKeyQPUHOZPJOWYHCV-UHFFFAOYSA-N
XLogP19.40
TPSA486.21 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002368.72
LogP ≤ 519.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate with MolForge

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Related Compounds

N-(1-(4-cyano-3-(trifluoromethyl)phenyl)piperidin-4-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 169489751
N-(1-(4-cyano-3-(trifluoromethyl)phenyl)pyrrolidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 169489752
N-(1-(4-cyano-3-(trifluoromethyl)phenyl)-2-oxopyrrolidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 169489753
N-(1-(4-cyano-3-(trifluoromethyl)phenyl)-5-oxopyrrolidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 169489754
N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 163397467
N-[(5R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-3-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 163397479
N-[1-[4-cyano-3-(trifluoromethyl)phenyl]-2-oxopyrrolidin-3-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 163397496
N-[1-[4-cyano-3-(trifluoromethyl)phenyl]azetidin-3-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 163397616
N-[1-[4-cyano-3-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 164798225
N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 164798232
N-[(3S,5R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-3-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 164798284
tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]-2-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(2-oxopyrrolidin-3-yl)carbamate;4-[3-(chloroamino)-2-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane
CID 164972511

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate?
The IUPAC name of tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate (CID 165019124) is tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate.
What is the SMILES notation for tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate?
The canonical SMILES for tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate is C.C.C.C.CC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CCN(c5ccc(C#N)c(C(F)(F)F)c5)CC4)ccc3OCC)nn12.N#Cc1ccc(I)cc1C(F)(F)F.N#Cc1ccc(N2CCC([NH3+])CC2)cc1C(F)(F)F.O=C([O-])C(F)(F)F.
What is the InChIKey of tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate?
The InChIKey is QPUHOZPJOWYHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N7O4S.C18H22F3N3O2.C17H19ClN4O4S.C13H14F3N3.C10H20N2O2.C8H3F3IN.C2HF3O2.4CH4/c1-4-6-26-35-18(3)27-29(41)36-28(37-40(26)27)23-16-22(9-10-25(23)44-5-2)45(42,43)38-20-11-13-39(14-12-20)21-8-7-19(17-34)24(15-21)30(31,32)33;1-17(2,3)26-16(25)23-13-6-8-24(9-7-13)14-5-4-12(11-22)15(10-14)18(19,20)21;1-4-6-14-19-10(3)15-17(23)20-16(21-22(14)15)12-9-11(27(18,24)25)7-8-13(12)26-5-2;14-13(15,16)12-7-11(2-1-9(12)8-17)19-5-3-10(18)4-6-19;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;9-8(10,11)7-3-6(12)2-1-5(7)4-13;3-2(4,5)1(6)7;;;;/h7-10,15-16,20,38H,4-6,11-14H2,1-3H3,(H,36,37,41);4-5,10,13H,6-9H2,1-3H3,(H,23,25);7-9H,4-6H2,1-3H3,(H,20,21,23);1-2,7,10H,3-6,18H2;8,11H,4-7H2,1-3H3,(H,12,13);1-3H;(H,6,7);4*1H4.
What are the key properties of tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate?
tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate has a molecular weight of 2368.72 g/mol, XLogP of 19.40, 19 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]azanium;N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;4-iodo-2-(trifluoromethyl)benzonitrile;methane;2,2,2-trifluoroacetate is sourced from PubChem (CID 165019124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).