sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide

C138H160BBr3F2N15NaO23S4 — CID 159722285

IUPACsodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide
SMILESCC(C)(C)OC(=O)NCCBr.COC(=O)c1[nH]c(-c2cc(F)cc3c2ccn3S(=O)(=O)c2ccc(C)cc2)c(C(C)C)c1-c1cc(C)cc2c1ccn2CCCC(=O)c1nccs1.COC(=O)c1[nH]c(-c2cc(F)cc3c2ccn3S(=O)(=O)c2ccc(C)cc2)c(C(C)C)c1-c1cc(OC)cc2c1ccn2CCNC(=O)OC(C)(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(CCNC(=O)OC(C)(C)C)c2c1.Cc1cc(Br)c2cc[nH]c2c1.Cc1cc(Br)c2ccn(CCNC(=O)OC(C)(C)C)c2c1.O=C(O)c1nccs1.[Na+].[OH-]
InChIInChI=1S/C40H43FN4O7S.C40H37FN4O5S2.C22H33BN2O4.C16H21BrN2O2.C9H8BrN.C7H14BrNO2.C4H3NO2S.Na.H2O/c1-23(2)34-35(30-21-26(50-7)22-32-28(30)13-16-44(32)18-15-42-39(47)52-40(4,5)6)37(38(46)51-8)43-36(34)31-19-25(41)20-33-29(31)14-17-45(33)53(48,49)27-11-9-24(3)10-12-27;1-23(2)35-36(30-19-25(4)20-32-28(30)12-16-44(32)15-6-7-34(46)39-42-14-18-51-39)38(40(47)50-5)43-37(35)31-21-26(41)22-33-29(31)13-17-45(33)52(48,49)27-10-8-24(3)9-11-27;1-15-13-17(23-28-21(5,6)22(7,8)29-23)16-9-11-25(18(16)14-15)12-10-24-19(26)27-20(2,3)4;1-11-9-13(17)12-5-7-19(14(12)10-11)8-6-18-15(20)21-16(2,3)4;1-6-4-8(10)7-2-3-11-9(7)5-6;1-7(2,3)11-6(10)9-5-4-8;6-4(7)3-5-1-2-8-3;;/h9-14,16-17,19-23,43H,15,18H2,1-8H3,(H,42,47);8-14,16-23,43H,6-7,15H2,1-5H3;9,11,13-14H,10,12H2,1-8H3,(H,24,26);5,7,9-10H,6,8H2,1-4H3,(H,18,20);2-5,11H,1H3;4-5H2,1-3H3,(H,9,10);1-2H,(H,6,7);;1H2/q;;;;;;;+1;/p-1
InChIKeyNAEPCUWXVOWQKV-UHFFFAOYSA-M
MW2836.66 g/mol
LogP28.49
Rot. Bonds31

About sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide

sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide (PubChem CID 159722285) has the molecular formula C138H160BBr3F2N15NaO23S4 and a molecular weight of 2836.66 g/mol. Its IUPAC name is sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide.

Molecular Properties

Compound Namesodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide
PubChem CID159722285
Molecular FormulaC138H160BBr3F2N15NaO23S4
Molecular Weight2836.66 g/mol
Exact Mass2831.82
IUPAC Namesodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide
SMILESCC(C)(C)OC(=O)NCCBr.COC(=O)c1[nH]c(-c2cc(F)cc3c2ccn3S(=O)(=O)c2ccc(C)cc2)c(C(C)C)c1-c1cc(C)cc2c1ccn2CCCC(=O)c1nccs1.COC(=O)c1[nH]c(-c2cc(F)cc3c2ccn3S(=O)(=O)c2ccc(C)cc2)c(C(C)C)c1-c1cc(OC)cc2c1ccn2CCNC(=O)OC(C)(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(CCNC(=O)OC(C)(C)C)c2c1.Cc1cc(Br)c2cc[nH]c2c1.Cc1cc(Br)c2ccn(CCNC(=O)OC(C)(C)C)c2c1.O=C(O)c1nccs1.[Na+].[OH-]
InChIInChI=1S/C40H43FN4O7S.C40H37FN4O5S2.C22H33BN2O4.C16H21BrN2O2.C9H8BrN.C7H14BrNO2.C4H3NO2S.Na.H2O/c1-23(2)34-35(30-21-26(50-7)22-32-28(30)13-16-44(32)18-15-42-39(47)52-40(4,5)6)37(38(46)51-8)43-36(34)31-19-25(41)20-33-29(31)14-17-45(33)53(48,49)27-11-9-24(3)10-12-27;1-23(2)35-36(30-19-25(4)20-32-28(30)12-16-44(32)15-6-7-34(46)39-42-14-18-51-39)38(40(47)50-5)43-37(35)31-21-26(41)22-33-29(31)13-17-45(33)52(48,49)27-10-8-24(3)9-11-27;1-15-13-17(23-28-21(5,6)22(7,8)29-23)16-9-11-25(18(16)14-15)12-10-24-19(26)27-20(2,3)4;1-11-9-13(17)12-5-7-19(14(12)10-11)8-6-18-15(20)21-16(2,3)4;1-6-4-8(10)7-2-3-11-9(7)5-6;1-7(2,3)11-6(10)9-5-4-8;6-4(7)3-5-1-2-8-3;;/h9-14,16-17,19-23,43H,15,18H2,1-8H3,(H,42,47);8-14,16-23,43H,6-7,15H2,1-5H3;9,11,13-14H,10,12H2,1-8H3,(H,24,26);5,7,9-10H,6,8H2,1-4H3,(H,18,20);2-5,11H,1H3;4-5H2,1-3H3,(H,9,10);1-2H,(H,6,7);;1H2/q;;;;;;;+1;/p-1
InChIKeyNAEPCUWXVOWQKV-UHFFFAOYSA-M
XLogP28.49
TPSA488.99 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002836.66
LogP ≤ 528.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide?
The IUPAC name of sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide (CID 159722285) is sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide.
What is the SMILES notation for sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide?
The canonical SMILES for sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide is CC(C)(C)OC(=O)NCCBr.COC(=O)c1[nH]c(-c2cc(F)cc3c2ccn3S(=O)(=O)c2ccc(C)cc2)c(C(C)C)c1-c1cc(C)cc2c1ccn2CCCC(=O)c1nccs1.COC(=O)c1[nH]c(-c2cc(F)cc3c2ccn3S(=O)(=O)c2ccc(C)cc2)c(C(C)C)c1-c1cc(OC)cc2c1ccn2CCNC(=O)OC(C)(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(CCNC(=O)OC(C)(C)C)c2c1.Cc1cc(Br)c2cc[nH]c2c1.Cc1cc(Br)c2ccn(CCNC(=O)OC(C)(C)C)c2c1.O=C(O)c1nccs1.[Na+].[OH-].
What is the InChIKey of sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide?
The InChIKey is NAEPCUWXVOWQKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C40H43FN4O7S.C40H37FN4O5S2.C22H33BN2O4.C16H21BrN2O2.C9H8BrN.C7H14BrNO2.C4H3NO2S.Na.H2O/c1-23(2)34-35(30-21-26(50-7)22-32-28(30)13-16-44(32)18-15-42-39(47)52-40(4,5)6)37(38(46)51-8)43-36(34)31-19-25(41)20-33-29(31)14-17-45(33)53(48,49)27-11-9-24(3)10-12-27;1-23(2)35-36(30-19-25(4)20-32-28(30)12-16-44(32)15-6-7-34(46)39-42-14-18-51-39)38(40(47)50-5)43-37(35)31-21-26(41)22-33-29(31)13-17-45(33)52(48,49)27-10-8-24(3)9-11-27;1-15-13-17(23-28-21(5,6)22(7,8)29-23)16-9-11-25(18(16)14-15)12-10-24-19(26)27-20(2,3)4;1-11-9-13(17)12-5-7-19(14(12)10-11)8-6-18-15(20)21-16(2,3)4;1-6-4-8(10)7-2-3-11-9(7)5-6;1-7(2,3)11-6(10)9-5-4-8;6-4(7)3-5-1-2-8-3;;/h9-14,16-17,19-23,43H,15,18H2,1-8H3,(H,42,47);8-14,16-23,43H,6-7,15H2,1-5H3;9,11,13-14H,10,12H2,1-8H3,(H,24,26);5,7,9-10H,6,8H2,1-4H3,(H,18,20);2-5,11H,1H3;4-5H2,1-3H3,(H,9,10);1-2H,(H,6,7);;1H2/q;;;;;;;+1;/p-1.
What are the key properties of sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide?
sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide has a molecular weight of 2836.66 g/mol, XLogP of 28.49, 31 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-bromo-6-methyl-1H-indole;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-bromo-6-methylindol-1-yl)ethyl]carbamate;tert-butyl N-[2-[6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethyl]carbamate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;methyl 5-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylate;1,3-thiazole-2-carboxylic acid;hydroxide is sourced from PubChem (CID 159722285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).