sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride

C98H94Br2Cl3F7N9NaO14S — CID 159765108

IUPACsodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride
SMILESC.CC#N.CC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.CC(=O)c1cc2ccc(Br)cc2[nH]1.CCCC[C@@H](CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1F)NC(=O)OC(C)(C)C.CCO.CCOC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1F.Cl.O=C(O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1F.O=C(O)c1cc2ccc(Br)cc2[nH]1.O=S(Cl)Cl.[Na+].[OH-]
InChIInChI=1S/C26H31F2N3O3.C17H13F2NO2.C16H12FNO.C15H9F2NO2.C10H8BrNO.C9H6BrNO2.C2H3N.C2H6O.CH4.Cl2OS.ClH.Na.H2O/c1-5-6-7-19(30-25(33)34-26(2,3)4)15-29-24(32)23-22(28)20-13-10-17(14-21(20)31-23)16-8-11-18(27)12-9-16;1-2-22-17(21)16-15(19)13-8-5-11(9-14(13)20-16)10-3-6-12(18)7-4-10;1-10(19)15-9-13-3-2-12(8-16(13)18-15)11-4-6-14(17)7-5-11;16-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-14(13(11)17)15(19)20;1-6(13)9-4-7-2-3-8(11)5-10(7)12-9;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;2*1-2-3;;1-4(2)3;;;/h8-14,19,31H,5-7,15H2,1-4H3,(H,29,32)(H,30,33);3-9,20H,2H2,1H3;2-9,18H,1H3;1-7,18H,(H,19,20);2-5,12H,1H3;1-4,11H,(H,12,13);1H3;3H,2H2,1H3;1H4;;1H;;1H2/q;;;;;;;;;;;+1;/p-1/t19-;;;;;;;;;;;;/m0............/s1
InChIKeyLKXRCTMLXGMDDU-SARYEQCUSA-M
MW2076.09 g/mol
LogP23.42
Rot. Bonds17

About sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride

sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride (PubChem CID 159765108) has the molecular formula C98H94Br2Cl3F7N9NaO14S and a molecular weight of 2076.09 g/mol. Its IUPAC name is sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride
PubChem CID159765108
Molecular FormulaC98H94Br2Cl3F7N9NaO14S
Molecular Weight2076.09 g/mol
Exact Mass2071.39
IUPAC Namesodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride
SMILESC.CC#N.CC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.CC(=O)c1cc2ccc(Br)cc2[nH]1.CCCC[C@@H](CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1F)NC(=O)OC(C)(C)C.CCO.CCOC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1F.Cl.O=C(O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1F.O=C(O)c1cc2ccc(Br)cc2[nH]1.O=S(Cl)Cl.[Na+].[OH-]
InChIInChI=1S/C26H31F2N3O3.C17H13F2NO2.C16H12FNO.C15H9F2NO2.C10H8BrNO.C9H6BrNO2.C2H3N.C2H6O.CH4.Cl2OS.ClH.Na.H2O/c1-5-6-7-19(30-25(33)34-26(2,3)4)15-29-24(32)23-22(28)20-13-10-17(14-21(20)31-23)16-8-11-18(27)12-9-16;1-2-22-17(21)16-15(19)13-8-5-11(9-14(13)20-16)10-3-6-12(18)7-4-10;1-10(19)15-9-13-3-2-12(8-16(13)18-15)11-4-6-14(17)7-5-11;16-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-14(13(11)17)15(19)20;1-6(13)9-4-7-2-3-8(11)5-10(7)12-9;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;2*1-2-3;;1-4(2)3;;;/h8-14,19,31H,5-7,15H2,1-4H3,(H,29,32)(H,30,33);3-9,20H,2H2,1H3;2-9,18H,1H3;1-7,18H,(H,19,20);2-5,12H,1H3;1-4,11H,(H,12,13);1H3;3H,2H2,1H3;1H4;;1H;;1H2/q;;;;;;;;;;;+1;/p-1/t19-;;;;;;;;;;;;/m0............/s1
InChIKeyLKXRCTMLXGMDDU-SARYEQCUSA-M
XLogP23.42
TPSA388.30 Ų
H-Bond Donors11
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002076.09
LogP ≤ 523.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1013

Analyze sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride with MolForge

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Related Compounds

CID 157081339
CID 157081339
sodium;tert-butyl N-[(2S)-1-[[3-(2-cyclopropylethynyl)-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(3-(2-cyclopropylethynyl)-N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide);3-(2-cyclopropylethynyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;ethynylcyclopropane;methane;methyl 3-bromo-6-(4-fluorophenyl)-1H-indole-2-carboxylate;methyl 3-(2-cyclopropylethynyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylate;hydroxide;hydrochloride
CID 157105574
sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 6-(4-fluorophenyl)-3-(4-hydroxyphenyl)indole-1,2-dicarboxylate;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carboxamide;6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid;(4-hydroxyphenyl)boronic acid;methane;hydroxide;hydrochloride
CID 157195769
sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride
CID 157318909
CID 157397111
CID 157397111
sodium;tert-butyl N-[(2R)-1-[[6-(4-cyanophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;(4-cyanophenyl)boronic acid;bis(6-(4-cyanophenyl)-N-[(2R)-2,5-diaminopentyl]-1H-indole-2-carboxamide);6-(4-cyanophenyl)-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-1H-indole-2-carboxylate;methyl 6-(4-cyanophenyl)-1H-indole-2-carboxylate;palladium;tetrakis(triphenylphosphane);hydroxide;hydrochloride
CID 157576705
sodium;6-bromo-1H-indole-2-carboxylic acid;tert-butyl N-[(6S)-7-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-2,6-dimethylheptan-3-yl]carbamate;N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-1H-indole-2-carboxylate;palladium;thionyl dichloride;tetrakis(triphenylphosphane);hydroxide;hydrochloride
CID 157586862
4-bromo-1H-indole-2-carboxylic acid;tert-butyl 2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)indole-1-carboxylate;tert-butyl 2-ethyl-4-(2-methylprop-1-enyl)indole-1-carboxylate;tert-butyl 2-(hydroxymethyl)-4-(2-methylprop-1-enyl)indole-1-carboxylate;1-O-tert-butyl 2-O-methyl 4-(2-methylprop-1-enyl)indole-1,2-dicarboxylate;tert-butyl 4-(2-methylprop-1-enyl)-2-[(3-nitro-2-oxo-1-pyridinyl)methyl]indole-1-carboxylate;methanol;methyl 4-bromo-1H-indole-2-carboxylate;methyl 4-(2-methylprop-1-enyl)-1H-indole-2-carboxylate;3-nitro-1H-pyridin-2-one;4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
CID 157655590
sodium;5-bromo-1H-indole-2-carboxylic acid;tert-butyl N-[(6S)-7-[[5-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-2,6-dimethylheptan-3-yl]carbamate;5-(4-fluorophenyl)-1H-indole-2-carboxylic acid;methane;methanol;methyl 5-bromo-1H-indole-2-carboxylate;methyl 5-(4-fluorophenyl)-1H-indole-2-carboxylate;palladium;thionyl dichloride;tetrakis(triphenylphosphane);hydroxide;hydrochloride
CID 157756640
CID 157855516
CID 157855516
N-[[(1S,3R)-3-aminocyclopentyl]methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;N-[[(2S,4S)-4-[[(2R)-2-amino-3-methylbutanoyl]amino]pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;tert-butyl N-[(1R,3S)-3-(aminomethyl)cyclopentyl]carbamate;tert-butyl N-[(2R)-1-[[(1R,3S)-3-[[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]methyl]cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1R,3S)-3-[[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]methyl]cyclopentyl]carbamate;6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;methanol;hydrochloride
CID 157997601
sodium;tert-butyl N-[(2S)-1-[[5-(4-fluorophenyl)-3-methyl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide);5-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxylic acid;methyl 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylate;methyl 5-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxylate;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydroxide;hydrochloride
CID 158044112

Frequently Asked Questions

What is the IUPAC name of sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride?
The IUPAC name of sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride (CID 159765108) is sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride.
What is the SMILES notation for sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride?
The canonical SMILES for sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride is C.CC#N.CC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.CC(=O)c1cc2ccc(Br)cc2[nH]1.CCCC[C@@H](CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1F)NC(=O)OC(C)(C)C.CCO.CCOC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1F.Cl.O=C(O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1F.O=C(O)c1cc2ccc(Br)cc2[nH]1.O=S(Cl)Cl.[Na+].[OH-].
What is the InChIKey of sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride?
The InChIKey is LKXRCTMLXGMDDU-SARYEQCUSA-M. The full InChI is InChI=1S/C26H31F2N3O3.C17H13F2NO2.C16H12FNO.C15H9F2NO2.C10H8BrNO.C9H6BrNO2.C2H3N.C2H6O.CH4.Cl2OS.ClH.Na.H2O/c1-5-6-7-19(30-25(33)34-26(2,3)4)15-29-24(32)23-22(28)20-13-10-17(14-21(20)31-23)16-8-11-18(27)12-9-16;1-2-22-17(21)16-15(19)13-8-5-11(9-14(13)20-16)10-3-6-12(18)7-4-10;1-10(19)15-9-13-3-2-12(8-16(13)18-15)11-4-6-14(17)7-5-11;16-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-14(13(11)17)15(19)20;1-6(13)9-4-7-2-3-8(11)5-10(7)12-9;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;2*1-2-3;;1-4(2)3;;;/h8-14,19,31H,5-7,15H2,1-4H3,(H,29,32)(H,30,33);3-9,20H,2H2,1H3;2-9,18H,1H3;1-7,18H,(H,19,20);2-5,12H,1H3;1-4,11H,(H,12,13);1H3;3H,2H2,1H3;1H4;;1H;;1H2/q;;;;;;;;;;;+1;/p-1/t19-;;;;;;;;;;;;/m0............/s1.
What are the key properties of sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride?
sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride has a molecular weight of 2076.09 g/mol, XLogP of 23.42, 17 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetonitrile;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)ethanone;tert-butyl N-[(2S)-1-[[3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;ethanol;ethyl 3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylate;3-fluoro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;1-[6-(4-fluorophenyl)-1H-indol-2-yl]ethanone;methane;thionyl dichloride;hydroxide;hydrochloride is sourced from PubChem (CID 159765108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).