lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide

C142H142BBrF4LiN7O25S4 — CID 159506268

IUPAClithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide
SMILESCC(C)(C)OC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1F.CCOC(=O)Cc1ccccc1OCc1cc(-c2cccc(CC)c2F)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2cccc(CN)c2F)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(CN)c4F)cc(COc4ccccc4CC(=O)O)cc32)cc1.[Li+].[OH-]
InChIInChI=1S/C34H32FNO5S.C33H31FN2O5S.C31H27FN2O5S.C26H24BrNO5S.C18H27BFNO4.Li.H2O/c1-4-25-10-8-11-29(34(25)35)30-19-24(22-41-32-12-7-6-9-26(32)21-33(37)40-5-2)20-31-28(30)17-18-36(31)42(38,39)27-15-13-23(3)14-16-27;1-3-40-32(37)19-24-7-4-5-10-31(24)41-21-23-17-29(28-9-6-8-25(20-35)33(28)34)27-15-16-36(30(27)18-23)42(38,39)26-13-11-22(2)12-14-26;1-20-9-11-24(12-10-20)40(37,38)34-14-13-25-27(26-7-4-6-23(18-33)31(26)32)15-21(16-28(25)34)19-39-29-8-3-2-5-22(29)17-30(35)36;1-3-32-26(29)16-20-6-4-5-7-25(20)33-17-19-14-23(27)22-12-13-28(24(22)15-19)34(30,31)21-10-8-18(2)9-11-21;1-16(2,3)23-15(22)21-11-12-9-8-10-13(14(12)20)19-24-17(4,5)18(6,7)25-19;;/h6-20H,4-5,21-22H2,1-3H3;4-18H,3,19-21,35H2,1-2H3;2-16H,17-19,33H2,1H3,(H,35,36);4-15H,3,16-17H2,1-2H3;8-10H,11H2,1-7H3,(H,21,22);;1H2/q;;;;;+1;/p-1
InChIKeyMAALAEJFAUAURR-UHFFFAOYSA-M
MW2648.64 g/mol
LogP24.64
Rot. Bonds40

About lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide

lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide (PubChem CID 159506268) has the molecular formula C142H142BBrF4LiN7O25S4 and a molecular weight of 2648.64 g/mol. Its IUPAC name is lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide.

Molecular Properties

Compound Namelithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide
PubChem CID159506268
Molecular FormulaC142H142BBrF4LiN7O25S4
Molecular Weight2648.64 g/mol
Exact Mass2645.83
IUPAC Namelithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide
SMILESCC(C)(C)OC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1F.CCOC(=O)Cc1ccccc1OCc1cc(-c2cccc(CC)c2F)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2cccc(CN)c2F)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(CN)c4F)cc(COc4ccccc4CC(=O)O)cc32)cc1.[Li+].[OH-]
InChIInChI=1S/C34H32FNO5S.C33H31FN2O5S.C31H27FN2O5S.C26H24BrNO5S.C18H27BFNO4.Li.H2O/c1-4-25-10-8-11-29(34(25)35)30-19-24(22-41-32-12-7-6-9-26(32)21-33(37)40-5-2)20-31-28(30)17-18-36(31)42(38,39)27-15-13-23(3)14-16-27;1-3-40-32(37)19-24-7-4-5-10-31(24)41-21-23-17-29(28-9-6-8-25(20-35)33(28)34)27-15-16-36(30(27)18-23)42(38,39)26-13-11-22(2)12-14-26;1-20-9-11-24(12-10-20)40(37,38)34-14-13-25-27(26-7-4-6-23(18-33)31(26)32)15-21(16-28(25)34)19-39-29-8-3-2-5-22(29)17-30(35)36;1-3-32-26(29)16-20-6-4-5-7-25(20)33-17-19-14-23(27)22-12-13-28(24(22)15-19)34(30,31)21-10-8-18(2)9-11-21;1-16(2,3)23-15(22)21-11-12-9-8-10-13(14(12)20)19-24-17(4,5)18(6,7)25-19;;/h6-20H,4-5,21-22H2,1-3H3;4-18H,3,19-21,35H2,1-2H3;2-16H,17-19,33H2,1H3,(H,35,36);4-15H,3,16-17H2,1-2H3;8-10H,11H2,1-7H3,(H,21,22);;1H2/q;;;;;+1;/p-1
InChIKeyMAALAEJFAUAURR-UHFFFAOYSA-M
XLogP24.64
TPSA448.23 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002648.64
LogP ≤ 524.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide with MolForge

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Related Compounds

lithium;2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]carbamate;ethyl 2-[2-[[4-[2-(aminomethyl)-4-pyridinyl]-1-methylindazol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindazol-6-yl)methoxy]phenyl]acetate;ethyl 2-[2-[[4-(2-ethyl-4-pyridinyl)-1-methylindazol-6-yl]methoxy]phenyl]acetate;2,2,2-trifluoroacetaldehyde;hydroxide
CID 161045672
Lithium;[3-(aminomethyl)phenyl]boronic acid;2-[2-[[4-[3-(aminomethyl)phenyl]-1-methylindol-6-yl]methoxy]phenyl]acetic acid;(4-bromo-1-methylindol-6-yl)methanol;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-1-methylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-(2-hydroxyphenyl)acetate;hydroxide;hydrochloride
CID 157062549
CID 157156898
CID 157156898
Lithium;[3-(aminomethyl)-2-fluorophenyl]boronic acid;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-propan-2-ylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylindol-6-yl)methoxy]-4-methylphenyl]acetate;hydroxide;hydrochloride
CID 157197472
Lithium;[3-(aminomethyl)phenyl]boronic acid;2-[2-[[4-[3-(aminomethyl)phenyl]-1-cyclopropylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-1-cyclopropylsulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-cyclopropylsulfonylindol-6-yl)methoxy]phenyl]acetate;methane;hydroxide;hydrochloride
CID 157396034
lithium;sodium;[3-(aminomethyl)phenyl]boronic acid;(4-bromo-1-cyclopropylsulfonylindol-6-yl)methanol;cyclopropanesulfonyl chloride;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-1-cyclopropylsulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-cyclopropylsulfonylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-(2-hydroxyphenyl)acetate;hydride;methane;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride
CID 157855175
Lithium;[3-(aminomethyl)-2-fluorophenyl]boronic acid;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-methylindol-6-yl]methoxy]-4-methylphenyl]acetate;ethyl 2-[2-[(4-bromo-1-methylindol-6-yl)methoxy]-4-methylphenyl]acetate;hydroxide;hydrochloride
CID 158204059
lithium;sodium;[3-(aminomethyl)phenyl]boronic acid;(4-bromo-1-propan-2-ylsulfonylindol-6-yl)methanol;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-1-propan-2-ylsulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-propan-2-ylsulfonylindol-6-yl)methoxy]phenyl]acetate;ethyl 2-(2-hydroxyphenyl)acetate;hydride;methane;methyl 7-bromo-3H-indene-5-carboxylate;methyl 4-bromo-1-propan-2-ylsulfonylindole-6-carboxylate;propane-2-sulfonyl chloride;hydroxide;hydrochloride
CID 158246962
CID 158316500
CID 158316500
Sodium;[3-(aminomethyl)phenyl]boronic acid;2-[2-[[7-[3-(aminomethyl)phenyl]-1-(4-methylphenyl)sulfonylindol-5-yl]methoxy]phenyl]acetic acid;ethyl 2-[2-[[7-[3-(aminomethyl)phenyl]-1-(4-methylphenyl)sulfonylindol-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-bromo-1-(4-methylphenyl)sulfonylindol-5-yl]methoxy]phenyl]acetate;hydroxide;hydrochloride
CID 158335588
Lithium;[3-(aminomethyl)-2-fluorophenyl]boronic acid;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-cyclopropylsulfonylindol-6-yl]methoxy]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-cyclopropylsulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[(4-bromo-1-cyclopropylsulfonylindol-6-yl)methoxy]phenyl]acetate;hydroxide;hydrochloride
CID 158466145
Sodium;[3-(aminomethyl)-2-fluorophenyl]boronic acid;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(cyclopropylmethyl)indol-6-yl]methoxy]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(cyclopropylmethyl)indol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(cyclopropylmethyl)indol-6-yl]methoxy]phenyl]acetate;hydroxide;hydrochloride
CID 158499560

Frequently Asked Questions

What is the IUPAC name of lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide?
The IUPAC name of lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide (CID 159506268) is lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide.
What is the SMILES notation for lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide?
The canonical SMILES for lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide is CC(C)(C)OC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1F.CCOC(=O)Cc1ccccc1OCc1cc(-c2cccc(CC)c2F)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2cccc(CN)c2F)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cccc(CN)c4F)cc(COc4ccccc4CC(=O)O)cc32)cc1.[Li+].[OH-].
What is the InChIKey of lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide?
The InChIKey is MAALAEJFAUAURR-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H32FNO5S.C33H31FN2O5S.C31H27FN2O5S.C26H24BrNO5S.C18H27BFNO4.Li.H2O/c1-4-25-10-8-11-29(34(25)35)30-19-24(22-41-32-12-7-6-9-26(32)21-33(37)40-5-2)20-31-28(30)17-18-36(31)42(38,39)27-15-13-23(3)14-16-27;1-3-40-32(37)19-24-7-4-5-10-31(24)41-21-23-17-29(28-9-6-8-25(20-35)33(28)34)27-15-16-36(30(27)18-23)42(38,39)26-13-11-22(2)12-14-26;1-20-9-11-24(12-10-20)40(37,38)34-14-13-25-27(26-7-4-6-23(18-33)31(26)32)15-21(16-28(25)34)19-39-29-8-3-2-5-22(29)17-30(35)36;1-3-32-26(29)16-20-6-4-5-7-25(20)33-17-19-14-23(27)22-12-13-28(24(22)15-19)34(30,31)21-10-8-18(2)9-11-21;1-16(2,3)23-15(22)21-11-12-9-8-10-13(14(12)20)19-24-17(4,5)18(6,7)25-19;;/h6-20H,4-5,21-22H2,1-3H3;4-18H,3,19-21,35H2,1-2H3;2-16H,17-19,33H2,1H3,(H,35,36);4-15H,3,16-17H2,1-2H3;8-10H,11H2,1-7H3,(H,21,22);;1H2/q;;;;;+1;/p-1.
What are the key properties of lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide?
lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide has a molecular weight of 2648.64 g/mol, XLogP of 24.64, 40 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetic acid;tert-butyl N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;ethyl 2-[2-[[4-[3-(aminomethyl)-2-fluorophenyl]-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-bromo-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[4-(3-ethyl-2-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-6-yl]methoxy]phenyl]acetate;hydroxide is sourced from PubChem (CID 159506268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).