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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride

C107H115BBr4Cl2LiN6NaO27S5 — CID 167623873

IUPAClithium;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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride
SMILESCCOC(=O)Cc1ccccc1O.CCOC(=O)Cc1ccccc1OCc1cc(-c2cccc(CN)c2)c2ccn(S(=O)(=O)C3CC3)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2ccn(S(=O)(=O)C3CC3)c2c1.COC(=O)c1cc(Br)c2c(c1)CC=C2.COC(=O)c1cc(Br)c2ccn(S(=O)(=O)C3CC3)c2c1.Cl.NCc1cccc(B(O)O)c1.O=S(=O)(C1CC1)n1ccc2c(Br)cc(CO)cc21.O=S(=O)(Cl)C1CC1.[H-].[Li+].[Na+].[OH-]
InChIInChI=1S/C29H30N2O5S.C22H22BrNO5S.C13H12BrNO4S.C12H12BrNO3S.C11H9BrO2.C10H12O3.C7H10BNO2.C3H5ClO2S.ClH.Li.Na.H2O.H/c1-2-35-29(32)17-23-7-3-4-9-28(23)36-19-21-15-26(22-8-5-6-20(14-22)18-30)25-12-13-31(27(25)16-21)37(33,34)24-10-11-24;1-2-28-22(25)13-16-5-3-4-6-21(16)29-14-15-11-19(23)18-9-10-24(20(18)12-15)30(26,27)17-7-8-17;1-19-13(16)8-6-11(14)10-4-5-15(12(10)7-8)20(17,18)9-2-3-9;13-11-5-8(7-15)6-12-10(11)3-4-14(12)18(16,17)9-1-2-9;1-14-11(13)8-5-7-3-2-4-9(7)10(12)6-8;1-2-13-10(12)7-8-5-3-4-6-9(8)11;9-5-6-2-1-3-7(4-6)8(10)11;4-7(5,6)3-1-2-3;;;;;/h3-9,12-16,24H,2,10-11,17-19,30H2,1H3;3-6,9-12,17H,2,7-8,13-14H2,1H3;4-7,9H,2-3H2,1H3;3-6,9,15H,1-2,7H2;2,4-6H,3H2,1H3;3-6,11H,2,7H2,1H3;1-4,10-11H,5,9H2;3H,1-2H2;1H;;;1H2;/q;;;;;;;;;2*+1;;-1/p-1
InChIKeyRGBOIXLBIXJQKM-UHFFFAOYSA-M
MW2508.71 g/mol
LogP12.20
Rot. Bonds31

About 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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride

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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride (PubChem CID 167623873) has the molecular formula C107H115BBr4Cl2LiN6NaO27S5 and a molecular weight of 2508.71 g/mol. Its IUPAC name is 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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride
PubChem CID167623873
Molecular FormulaC107H115BBr4Cl2LiN6NaO27S5
Molecular Weight2508.71 g/mol
Exact Mass2502.27
IUPAC Namelithium;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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride
SMILESCCOC(=O)Cc1ccccc1O.CCOC(=O)Cc1ccccc1OCc1cc(-c2cccc(CN)c2)c2ccn(S(=O)(=O)C3CC3)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2ccn(S(=O)(=O)C3CC3)c2c1.COC(=O)c1cc(Br)c2c(c1)CC=C2.COC(=O)c1cc(Br)c2ccn(S(=O)(=O)C3CC3)c2c1.Cl.NCc1cccc(B(O)O)c1.O=S(=O)(C1CC1)n1ccc2c(Br)cc(CO)cc21.O=S(=O)(Cl)C1CC1.[H-].[Li+].[Na+].[OH-]
InChIInChI=1S/C29H30N2O5S.C22H22BrNO5S.C13H12BrNO4S.C12H12BrNO3S.C11H9BrO2.C10H12O3.C7H10BNO2.C3H5ClO2S.ClH.Li.Na.H2O.H/c1-2-35-29(32)17-23-7-3-4-9-28(23)36-19-21-15-26(22-8-5-6-20(14-22)18-30)25-12-13-31(27(25)16-21)37(33,34)24-10-11-24;1-2-28-22(25)13-16-5-3-4-6-21(16)29-14-15-11-19(23)18-9-10-24(20(18)12-15)30(26,27)17-7-8-17;1-19-13(16)8-6-11(14)10-4-5-15(12(10)7-8)20(17,18)9-2-3-9;13-11-5-8(7-15)6-12-10(11)3-4-14(12)18(16,17)9-1-2-9;1-14-11(13)8-5-7-3-2-4-9(7)10(12)6-8;1-2-13-10(12)7-8-5-3-4-6-9(8)11;9-5-6-2-1-3-7(4-6)8(10)11;4-7(5,6)3-1-2-3;;;;;/h3-9,12-16,24H,2,10-11,17-19,30H2,1H3;3-6,9-12,17H,2,7-8,13-14H2,1H3;4-7,9H,2-3H2,1H3;3-6,9,15H,1-2,7H2;2,4-6H,3H2,1H3;3-6,11H,2,7H2,1H3;1-4,10-11H,5,9H2;3H,1-2H2;1H;;;1H2;/q;;;;;;;;;2*+1;;-1/p-1
InChIKeyRGBOIXLBIXJQKM-UHFFFAOYSA-M
XLogP12.20
TPSA503.34 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002508.71
LogP ≤ 512.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride with MolForge

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Related Compounds

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)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;[3-(aminomethyl)phenyl]boronic acid;2-[2-[4-[3-(aminomethyl)phenyl]-1-propan-2-ylindole-6-carbonyl]oxy-4-methylphenyl]acetic acid;(4-bromo-1-propan-2-ylindol-6-yl)methanol;[2-(2-ethoxy-2-oxoethyl)-5-methylphenyl] 4-[3-(aminomethyl)phenyl]-1-propan-2-ylindole-6-carboxylate;[2-(2-ethoxy-2-oxoethyl)-5-methylphenyl] 4-bromo-1-propan-2-ylindole-6-carboxylate;ethyl 2-(2-hydroxy-4-methylphenyl)acetate;hydroxide;hydrochloride
CID 157677923
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;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
sodium;(4-bromo-1-cyclopropylsulfonylindol-6-yl)methanol;cyclopropanesulfonyl chloride;ethyl 2-(2-hydroxyphenyl)acetate;hydride;methane;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate
CID 158279674
CID 158282792
CID 158282792
CID 158316500
CID 158316500
lithium;[3-(aminomethyl)phenyl]boronic acid;(4-bromo-1-phenylindol-6-yl)methanol;[2-(2-ethoxy-2-oxoethyl)phenyl] 4-[3-(aminomethyl)phenyl]-1-phenylindole-6-carboxylate;[2-(2-ethoxy-2-oxoethyl)phenyl] 4-bromo-1-phenylindole-6-carboxylate;ethyl 2-(2-hydroxyphenyl)acetate;iodobenzene;methyl 7-bromo-3H-indene-5-carboxylate;methyl 4-bromo-1-phenylindole-6-carboxylate;hydroxide;hydrochloride
CID 158345642
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;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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride?
The IUPAC name of 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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride (CID 167623873) is 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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride.
What is the SMILES notation for 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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride?
The canonical SMILES for 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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride is CCOC(=O)Cc1ccccc1O.CCOC(=O)Cc1ccccc1OCc1cc(-c2cccc(CN)c2)c2ccn(S(=O)(=O)C3CC3)c2c1.CCOC(=O)Cc1ccccc1OCc1cc(Br)c2ccn(S(=O)(=O)C3CC3)c2c1.COC(=O)c1cc(Br)c2c(c1)CC=C2.COC(=O)c1cc(Br)c2ccn(S(=O)(=O)C3CC3)c2c1.Cl.NCc1cccc(B(O)O)c1.O=S(=O)(C1CC1)n1ccc2c(Br)cc(CO)cc21.O=S(=O)(Cl)C1CC1.[H-].[Li+].[Na+].[OH-].
What is the InChIKey of 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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride?
The InChIKey is RGBOIXLBIXJQKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H30N2O5S.C22H22BrNO5S.C13H12BrNO4S.C12H12BrNO3S.C11H9BrO2.C10H12O3.C7H10BNO2.C3H5ClO2S.ClH.Li.Na.H2O.H/c1-2-35-29(32)17-23-7-3-4-9-28(23)36-19-21-15-26(22-8-5-6-20(14-22)18-30)25-12-13-31(27(25)16-21)37(33,34)24-10-11-24;1-2-28-22(25)13-16-5-3-4-6-21(16)29-14-15-11-19(23)18-9-10-24(20(18)12-15)30(26,27)17-7-8-17;1-19-13(16)8-6-11(14)10-4-5-15(12(10)7-8)20(17,18)9-2-3-9;13-11-5-8(7-15)6-12-10(11)3-4-14(12)18(16,17)9-1-2-9;1-14-11(13)8-5-7-3-2-4-9(7)10(12)6-8;1-2-13-10(12)7-8-5-3-4-6-9(8)11;9-5-6-2-1-3-7(4-6)8(10)11;4-7(5,6)3-1-2-3;;;;;/h3-9,12-16,24H,2,10-11,17-19,30H2,1H3;3-6,9-12,17H,2,7-8,13-14H2,1H3;4-7,9H,2-3H2,1H3;3-6,9,15H,1-2,7H2;2,4-6H,3H2,1H3;3-6,11H,2,7H2,1H3;1-4,10-11H,5,9H2;3H,1-2H2;1H;;;1H2;/q;;;;;;;;;2*+1;;-1/p-1.
What are the key properties of 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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride?
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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride has a molecular weight of 2508.71 g/mol, XLogP of 12.20, 31 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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;methyl 4-bromo-1-cyclopropylsulfonylindole-6-carboxylate;methyl 7-bromo-3H-indene-5-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 167623873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).