1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride

C146H139BrClF18N9O16S3 — CID 158912915

IUPAC1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride
SMILESC.C.COC(=O)c1ccc2[nH]c(Cc3ccccc3C(F)(F)F)cc2c1.COC(=O)c1ccc2[nH]ccc2c1.COC(=O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1.Cl.FC(F)(F)c1ccccc1CBr.O=C(O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1.[2H]C([2H])(N)c1ccc(S(=O)(=O)CC)cc1.[2H]C([2H])(NC(=O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1)c1ccc(S(=O)(=O)CC)cc1.[2H]C([2H])(NC(=O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/2C29H27F3N2O3S.C21H18F3NO2.C20H16F3NO2.C18H14F3NO2.C10H9NO2.C9H13NO2S.C8H6BrF3.2CH4.ClH/c2*1-2-38(36,37)25-12-7-19(8-13-25)18-33-28(35)21-9-14-27-22(15-21)17-24(34(27)23-10-11-23)16-20-5-3-4-6-26(20)29(30,31)32;1-27-20(26)14-6-9-19-15(10-14)12-17(25(19)16-7-8-16)11-13-4-2-3-5-18(13)21(22,23)24;21-20(22,23)17-4-2-1-3-12(17)10-16-11-14-9-13(19(25)26)5-8-18(14)24(16)15-6-7-15;1-24-17(23)12-6-7-16-13(8-12)10-14(22-16)9-11-4-2-3-5-15(11)18(19,20)21;1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;1-2-13(11,12)9-5-3-8(7-10)4-6-9;9-5-6-3-1-2-4-7(6)8(10,11)12;;;/h2*3-9,12-15,17,23H,2,10-11,16,18H2,1H3,(H,33,35);2-6,9-10,12,16H,7-8,11H2,1H3;1-5,8-9,11,15H,6-7,10H2,(H,25,26);2-8,10,22H,9H2,1H3;2-6,11H,1H3;3-6H,2,7,10H2,1H3;1-4H,5H2;2*1H4;1H/i2*18D2;;;;;7D2;;;;
InChIKeyBLZNYQRCBHDRIK-IFHVXOEUSA-N
MW2835.32 g/mol
LogP36.03
Rot. Bonds32

About 1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride

1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride (PubChem CID 158912915) has the molecular formula C146H139BrClF18N9O16S3 and a molecular weight of 2835.32 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Name1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride
PubChem CID158912915
Molecular FormulaC146H139BrClF18N9O16S3
Molecular Weight2835.32 g/mol
Exact Mass2831.85
IUPAC Name1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride
SMILESC.C.COC(=O)c1ccc2[nH]c(Cc3ccccc3C(F)(F)F)cc2c1.COC(=O)c1ccc2[nH]ccc2c1.COC(=O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1.Cl.FC(F)(F)c1ccccc1CBr.O=C(O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1.[2H]C([2H])(N)c1ccc(S(=O)(=O)CC)cc1.[2H]C([2H])(NC(=O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1)c1ccc(S(=O)(=O)CC)cc1.[2H]C([2H])(NC(=O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/2C29H27F3N2O3S.C21H18F3NO2.C20H16F3NO2.C18H14F3NO2.C10H9NO2.C9H13NO2S.C8H6BrF3.2CH4.ClH/c2*1-2-38(36,37)25-12-7-19(8-13-25)18-33-28(35)21-9-14-27-22(15-21)17-24(34(27)23-10-11-23)16-20-5-3-4-6-26(20)29(30,31)32;1-27-20(26)14-6-9-19-15(10-14)12-17(25(19)16-7-8-16)11-13-4-2-3-5-18(13)21(22,23)24;21-20(22,23)17-4-2-1-3-12(17)10-16-11-14-9-13(19(25)26)5-8-18(14)24(16)15-6-7-15;1-24-17(23)12-6-7-16-13(8-12)10-14(22-16)9-11-4-2-3-5-15(11)18(19,20)21;1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;1-2-13(11,12)9-5-3-8(7-10)4-6-9;9-5-6-3-1-2-4-7(6)8(10,11)12;;;/h2*3-9,12-15,17,23H,2,10-11,16,18H2,1H3,(H,33,35);2-6,9-10,12,16H,7-8,11H2,1H3;1-5,8-9,11,15H,6-7,10H2,(H,25,26);2-8,10,22H,9H2,1H3;2-6,11H,1H3;3-6H,2,7,10H2,1H3;1-4H,5H2;2*1H4;1H/i2*18D2;;;;;7D2;;;;
InChIKeyBLZNYQRCBHDRIK-IFHVXOEUSA-N
XLogP36.03
TPSA354.14 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002835.32
LogP ≤ 536.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride with MolForge

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Related Compounds

(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2,2-pentadeuterioethyl)indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-(1,1,2,2,2-pentadeuterioethyl)indole-5-carboxylic acid;methane;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-(1,1,2,2,2-pentadeuterioethyl)indole-5-carboxylate;hydrochloride
CID 157470882
2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-(bromomethyl)-2-(trifluoromethyl)benzene;methyl 1H-indole-5-carboxylate;methyl 1-propan-2-yl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;1-propan-2-yl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid
CID 158511376
(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxamide;1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;methyl 1-cyclopropyl-6-fluoro-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylate;5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 159928707
1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;1-(2-fluoroethyl)-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;methyl 1-(2-fluoroethyl)-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;methyl 1H-indole-5-carboxylate
CID 160001396
1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;1-(2-fluoroethyl)-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-[(1S)-2-hydroxy-1-[4-(1,1,2,2,2-pentadeuterioethylsulfonyl)phenyl]ethyl]indole-5-carboxamide;1-(2-fluoroethyl)-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-2-hydroxy-1-[4-(1,1,2,2,2-pentadeuterioethylsulfonyl)phenyl]ethyl]indole-5-carboxamide;methane;methyl 1-(2-fluoroethyl)-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;methyl 1H-indole-5-carboxylate
CID 160014985
(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-6-fluoroindole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-6-fluoroindole-5-carboxylic acid;cyclopropylboronic acid;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-6-fluoroindole-5-carboxylate;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-6-fluoro-1H-indole-5-carboxylate
CID 160305485
(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-(1,1-dideuterioethyl)indole-5-carboxylic acid;(3R)-1-[2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-(1,1-dideuterioethyl)indol-5-yl]-3-(4-ethylsulfonylphenyl)-4-hydroxybutan-1-one;methyl 4-[(1R)-1-[[2-[(4-chloro-2-methylphenyl)methyl]-1-(1,1-dideuterioethyl)indole-5-carbonyl]amino]-2-hydroxyethyl]benzenesulfonate;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-(1,1-dideuterioethyl)indole-5-carboxylate;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride
CID 160423698
N-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]-2,2,2-trifluoroacetamide;deuterium monohydride;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetamide;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;methanol;methyl (Z)-4-bromobut-2-enoate;methyl (Z)-4-[2-bromo-4-(pyrrolidin-1-ylsulfonylmethyl)-N-(2,2,2-trifluoroacetyl)anilino]but-2-enoate;methyl 2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetate;4-(pyrrolidin-1-ylsulfonylmethyl)aniline;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]acetic acid;hydroiodide
CID 160832288
5-bromo-1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole;(5-bromo-1-cyclopropylindol-2-yl)-dideuteriomethanol;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;1-cyclopropyl-2-[dideuterio-[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid;ethyl 5-bromo-1-cyclopropylindole-2-carboxylate;ethyl 5-bromo-1H-indole-2-carboxylate;methane;5-(trifluoromethyl)-1H-pyrazole
CID 161281498
2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzene;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-(2-fluoroethyl)indole-5-carboxylic acid;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-(2-fluoroethyl)indole-5-carboxylate;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;methyl 1H-indole-5-carboxylate
CID 161518330
(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;1-(bromomethyl)-4-chloro-2-(trifluoromethyl)benzene;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-6-fluoro-1-(2-fluoroethyl)indole-5-carboxylic acid;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-6-fluoro-1-(2-fluoroethyl)indole-5-carboxylate;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-6-fluoro-1H-indole-5-carboxylate;methyl 6-fluoro-1H-indole-5-carboxylate
CID 161689378
(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethanol;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-propan-2-ylindole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylindole-5-carboxylic acid;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;methyl 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylindole-5-carboxylate
CID 161881793

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride?
The IUPAC name of 1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride (CID 158912915) is 1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride.
What is the SMILES notation for 1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride?
The canonical SMILES for 1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride is C.C.COC(=O)c1ccc2[nH]c(Cc3ccccc3C(F)(F)F)cc2c1.COC(=O)c1ccc2[nH]ccc2c1.COC(=O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1.Cl.FC(F)(F)c1ccccc1CBr.O=C(O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1.[2H]C([2H])(N)c1ccc(S(=O)(=O)CC)cc1.[2H]C([2H])(NC(=O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1)c1ccc(S(=O)(=O)CC)cc1.[2H]C([2H])(NC(=O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1)c1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of 1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride?
The InChIKey is BLZNYQRCBHDRIK-IFHVXOEUSA-N. The full InChI is InChI=1S/2C29H27F3N2O3S.C21H18F3NO2.C20H16F3NO2.C18H14F3NO2.C10H9NO2.C9H13NO2S.C8H6BrF3.2CH4.ClH/c2*1-2-38(36,37)25-12-7-19(8-13-25)18-33-28(35)21-9-14-27-22(15-21)17-24(34(27)23-10-11-23)16-20-5-3-4-6-26(20)29(30,31)32;1-27-20(26)14-6-9-19-15(10-14)12-17(25(19)16-7-8-16)11-13-4-2-3-5-18(13)21(22,23)24;21-20(22,23)17-4-2-1-3-12(17)10-16-11-14-9-13(19(25)26)5-8-18(14)24(16)15-6-7-15;1-24-17(23)12-6-7-16-13(8-12)10-14(22-16)9-11-4-2-3-5-15(11)18(19,20)21;1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;1-2-13(11,12)9-5-3-8(7-10)4-6-9;9-5-6-3-1-2-4-7(6)8(10,11)12;;;/h2*3-9,12-15,17,23H,2,10-11,16,18H2,1H3,(H,33,35);2-6,9-10,12,16H,7-8,11H2,1H3;1-5,8-9,11,15H,6-7,10H2,(H,25,26);2-8,10,22H,9H2,1H3;2-6,11H,1H3;3-6H,2,7,10H2,1H3;1-4H,5H2;2*1H4;1H/i2*18D2;;;;;7D2;;;;.
What are the key properties of 1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride?
1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride has a molecular weight of 2835.32 g/mol, XLogP of 36.03, 32 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(trifluoromethyl)benzene;bis(1-cyclopropyl-N-[dideuterio-(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide);1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;dideuterio-(4-ethylsulfonylphenyl)methanamine;methane;methyl 1-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate;hydrochloride is sourced from PubChem (CID 158912915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).