tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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

C96H120Cl2F9IN20O12S2 — CID 165033802

IUPACtert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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
SMILESC.C.C.C.CC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1.CC(C)(C)OC(=O)NC1CCNC1.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12.N#Cc1ccc(I)cc1C(F)(F)F.N#Cc1ccc(N2CCC(NCl)C2)cc1C(F)(F)F.[C-]#[N+]c1ccc(N2CCC(NS(=O)(=O)c3ccc(OCC)c(-c4nn5c(CCC)nc(C)c5c(=O)[nH]4)c3)C2)cc1C
InChIInChI=1S/C29H33N7O4S.C17H19ClN4O4S.C17H20F3N3O2.C12H11ClF3N3.C9H18N2O2.C8H3F3IN.4CH4/c1-6-8-26-31-19(4)27-29(37)32-28(33-36(26)27)23-16-22(10-12-25(23)40-7-2)41(38,39)34-20-13-14-35(17-20)21-9-11-24(30-5)18(3)15-21;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;1-16(2,3)25-15(24)22-12-6-7-23(10-12)13-5-4-11(9-21)14(8-13)17(18,19)20;13-18-9-3-4-19(7-9)10-2-1-8(6-17)11(5-10)12(14,15)16;1-9(2,3)13-8(12)11-7-4-5-10-6-7;9-8(10,11)7-3-6(12)2-1-5(7)4-13;;;;/h9-12,15-16,20,34H,6-8,13-14,17H2,1-4H3,(H,32,33,37);7-9H,4-6H2,1-3H3,(H,20,21,23);4-5,8,12H,6-7,10H2,1-3H3,(H,22,24);1-2,5,9,18H,3-4,7H2;7,10H,4-6H2,1-3H3,(H,11,12);1-3H;4*1H4
InChIKeyNBNTXEURBPAHJW-UHFFFAOYSA-N
MW2179.07 g/mol
LogP20.01
Rot. Bonds20

About tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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

tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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 (PubChem CID 165033802) has the molecular formula C96H120Cl2F9IN20O12S2 and a molecular weight of 2179.07 g/mol. Its IUPAC name is tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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.

Molecular Properties

Compound Nametert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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
PubChem CID165033802
Molecular FormulaC96H120Cl2F9IN20O12S2
Molecular Weight2179.07 g/mol
Exact Mass2176.71
IUPAC Nametert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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
SMILESC.C.C.C.CC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1.CC(C)(C)OC(=O)NC1CCNC1.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12.N#Cc1ccc(I)cc1C(F)(F)F.N#Cc1ccc(N2CCC(NCl)C2)cc1C(F)(F)F.[C-]#[N+]c1ccc(N2CCC(NS(=O)(=O)c3ccc(OCC)c(-c4nn5c(CCC)nc(C)c5c(=O)[nH]4)c3)C2)cc1C
InChIInChI=1S/C29H33N7O4S.C17H19ClN4O4S.C17H20F3N3O2.C12H11ClF3N3.C9H18N2O2.C8H3F3IN.4CH4/c1-6-8-26-31-19(4)27-29(37)32-28(33-36(26)27)23-16-22(10-12-25(23)40-7-2)41(38,39)34-20-13-14-35(17-20)21-9-11-24(30-5)18(3)15-21;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;1-16(2,3)25-15(24)22-12-6-7-23(10-12)13-5-4-11(9-21)14(8-13)17(18,19)20;13-18-9-3-4-19(7-9)10-2-1-8(6-17)11(5-10)12(14,15)16;1-9(2,3)13-8(12)11-7-4-5-10-6-7;9-8(10,11)7-3-6(12)2-1-5(7)4-13;;;;/h9-12,15-16,20,34H,6-8,13-14,17H2,1-4H3,(H,32,33,37);7-9H,4-6H2,1-3H3,(H,20,21,23);4-5,8,12H,6-7,10H2,1-3H3,(H,22,24);1-2,5,9,18H,3-4,7H2;7,10H,4-6H2,1-3H3,(H,11,12);1-3H;4*1H4
InChIKeyNBNTXEURBPAHJW-UHFFFAOYSA-N
XLogP20.01
TPSA411.04 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002179.07
LogP ≤ 520.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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 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-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 163397467
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]-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
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
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
tert-butyl N-(azetidin-3-yl)carbamate;tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]azetidin-3-yl]carbamate;[1-[4-cyano-3-(trifluoromethyl)phenyl]azetidin-3-yl]azanium;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;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 165090436
CID 165091556
CID 165091556
tert-butyl N-[1-(4-isocyano-3-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate;tert-butyl N-(5-oxopyrrolidin-3-yl)carbamate;4-(chloroamino)-1-(4-isocyano-3-methylphenyl)pyrrolidin-2-one;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)-5-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 165095852
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)benzenesulfinamide
CID 170277933
N-[2-(dimethylamino)ethyl]-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N-methylacetamide;2-[[2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]acetyl]-methylamino]-N,N-dimethylacetamide;2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide;2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N-methylacetamide;2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N-methylpropanamide
CID 159800659
sodium;deuterio(fluoro)methane;4-ethoxy-N-(4-isocyano-3-methylphenyl)-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;hydride;4-isocyano-3-methylaniline
CID 165007510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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?
The IUPAC name of tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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 165033802) is tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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.
What is the SMILES notation for tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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?
The canonical SMILES for tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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 is C.C.C.C.CC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1.CC(C)(C)OC(=O)NC1CCNC1.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12.N#Cc1ccc(I)cc1C(F)(F)F.N#Cc1ccc(N2CCC(NCl)C2)cc1C(F)(F)F.[C-]#[N+]c1ccc(N2CCC(NS(=O)(=O)c3ccc(OCC)c(-c4nn5c(CCC)nc(C)c5c(=O)[nH]4)c3)C2)cc1C.
What is the InChIKey of tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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?
The InChIKey is NBNTXEURBPAHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O4S.C17H19ClN4O4S.C17H20F3N3O2.C12H11ClF3N3.C9H18N2O2.C8H3F3IN.4CH4/c1-6-8-26-31-19(4)27-29(37)32-28(33-36(26)27)23-16-22(10-12-25(23)40-7-2)41(38,39)34-20-13-14-35(17-20)21-9-11-24(30-5)18(3)15-21;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;1-16(2,3)25-15(24)22-12-6-7-23(10-12)13-5-4-11(9-21)14(8-13)17(18,19)20;13-18-9-3-4-19(7-9)10-2-1-8(6-17)11(5-10)12(14,15)16;1-9(2,3)13-8(12)11-7-4-5-10-6-7;9-8(10,11)7-3-6(12)2-1-5(7)4-13;;;;/h9-12,15-16,20,34H,6-8,13-14,17H2,1-4H3,(H,32,33,37);7-9H,4-6H2,1-3H3,(H,20,21,23);4-5,8,12H,6-7,10H2,1-3H3,(H,22,24);1-2,5,9,18H,3-4,7H2;7,10H,4-6H2,1-3H3,(H,11,12);1-3H;4*1H4.
What are the key properties of tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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?
tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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 has a molecular weight of 2179.07 g/mol, XLogP of 20.01, 20 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate;tert-butyl N-pyrrolidin-3-ylcarbamate;4-[3-(chloroamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile;4-ethoxy-N-[1-(4-isocyano-3-methylphenyl)pyrrolidin-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 is sourced from PubChem (CID 165033802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).