1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate

C177H219Cl6N27O21S6 — CID 162153124

IUPAC1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate
SMILESCCC(C)(C)OC(=O)OCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCCCCCN(CCCCCC)C(=O)OC(C(C)C)N1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCCCOC(=O)OCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCCOC(=O)OCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCN(CC)C(=O)OC(C(C)C)N1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCN(CC)C(=O)OC(C)N1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21
InChIInChI=1S/C38H54ClN5O3S.C30H38ClN5O3S.C28H34ClN5O3S.C28H33ClN4O4S.C27H31ClN4O4S.C26H29ClN4O4S/c1-5-7-9-13-18-43(19-14-10-8-6-2)38(46)47-37(28(3)4)44-33-27-32(39)29(25-30(33)26-35(44)45)17-20-41-21-23-42(24-22-41)36-31-15-11-12-16-34(31)48-40-36;1-5-34(6-2)30(38)39-29(20(3)4)36-25-19-24(31)21(17-22(25)18-27(36)37)11-12-33-13-15-35(16-14-33)28-23-9-7-8-10-26(23)40-32-28;1-4-32(5-2)28(36)37-19(3)34-24-18-23(29)20(16-21(24)17-26(34)35)10-11-31-12-14-33(15-13-31)27-22-8-6-7-9-25(22)38-30-27;1-4-28(2,3)37-27(35)36-18-33-23-17-22(29)19(15-20(23)16-25(33)34)9-10-31-11-13-32(14-12-31)26-21-7-5-6-8-24(21)38-30-26;1-2-3-14-35-27(34)36-18-32-23-17-22(28)19(15-20(23)16-25(32)33)8-9-30-10-12-31(13-11-30)26-21-6-4-5-7-24(21)37-29-26;1-2-13-34-26(33)35-17-31-22-16-21(27)18(14-19(22)15-24(31)32)7-8-29-9-11-30(12-10-29)25-20-5-3-4-6-23(20)36-28-25/h11-12,15-16,25,27-28,37H,5-10,13-14,17-24,26H2,1-4H3;7-10,17,19-20,29H,5-6,11-16,18H2,1-4H3;6-9,16,18-19H,4-5,10-15,17H2,1-3H3;5-8,15,17H,4,9-14,16,18H2,1-3H3;4-7,15,17H,2-3,8-14,16,18H2,1H3;3-6,14,16H,2,7-13,15,17H2,1H3
InChIKeyZLLYXNHRBOCAJV-UHFFFAOYSA-N
MW3465.99 g/mol
LogP34.82
Rot. Bonds59

About 1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate

1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate (PubChem CID 162153124) has the molecular formula C177H219Cl6N27O21S6 and a molecular weight of 3465.99 g/mol. Its IUPAC name is 1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate.

Molecular Properties

Compound Name1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate
PubChem CID162153124
Molecular FormulaC177H219Cl6N27O21S6
Molecular Weight3465.99 g/mol
Exact Mass3460.34
IUPAC Name1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate
SMILESCCC(C)(C)OC(=O)OCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCCCCCN(CCCCCC)C(=O)OC(C(C)C)N1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCCCOC(=O)OCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCCOC(=O)OCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCN(CC)C(=O)OC(C(C)C)N1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCN(CC)C(=O)OC(C)N1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21
InChIInChI=1S/C38H54ClN5O3S.C30H38ClN5O3S.C28H34ClN5O3S.C28H33ClN4O4S.C27H31ClN4O4S.C26H29ClN4O4S/c1-5-7-9-13-18-43(19-14-10-8-6-2)38(46)47-37(28(3)4)44-33-27-32(39)29(25-30(33)26-35(44)45)17-20-41-21-23-42(24-22-41)36-31-15-11-12-16-34(31)48-40-36;1-5-34(6-2)30(38)39-29(20(3)4)36-25-19-24(31)21(17-22(25)18-27(36)37)11-12-33-13-15-35(16-14-33)28-23-9-7-8-10-26(23)40-32-28;1-4-32(5-2)28(36)37-19(3)34-24-18-23(29)20(16-21(24)17-26(34)35)10-11-31-12-14-33(15-13-31)27-22-8-6-7-9-25(22)38-30-27;1-4-28(2,3)37-27(35)36-18-33-23-17-22(29)19(15-20(23)16-25(33)34)9-10-31-11-13-32(14-12-31)26-21-7-5-6-8-24(21)38-30-26;1-2-3-14-35-27(34)36-18-32-23-17-22(28)19(15-20(23)16-25(32)33)8-9-30-10-12-31(13-11-30)26-21-6-4-5-7-24(21)37-29-26;1-2-13-34-26(33)35-17-31-22-16-21(27)18(14-19(22)15-24(31)32)7-8-29-9-11-30(12-10-29)25-20-5-3-4-6-23(20)36-28-25/h11-12,15-16,25,27-28,37H,5-10,13-14,17-24,26H2,1-4H3;7-10,17,19-20,29H,5-6,11-16,18H2,1-4H3;6-9,16,18-19H,4-5,10-15,17H2,1-3H3;5-8,15,17H,4,9-14,16,18H2,1-3H3;4-7,15,17H,2-3,8-14,16,18H2,1H3;3-6,14,16H,2,7-13,15,17H2,1H3
InChIKeyZLLYXNHRBOCAJV-UHFFFAOYSA-N
XLogP34.82
TPSA433.29 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds59
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003465.99
LogP ≤ 534.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze 1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate?
The IUPAC name of 1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate (CID 162153124) is 1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate.
What is the SMILES notation for 1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate?
The canonical SMILES for 1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate is CCC(C)(C)OC(=O)OCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCCCCCN(CCCCCC)C(=O)OC(C(C)C)N1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCCCOC(=O)OCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCCOC(=O)OCN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCN(CC)C(=O)OC(C(C)C)N1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.CCN(CC)C(=O)OC(C)N1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21.
What is the InChIKey of 1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate?
The InChIKey is ZLLYXNHRBOCAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54ClN5O3S.C30H38ClN5O3S.C28H34ClN5O3S.C28H33ClN4O4S.C27H31ClN4O4S.C26H29ClN4O4S/c1-5-7-9-13-18-43(19-14-10-8-6-2)38(46)47-37(28(3)4)44-33-27-32(39)29(25-30(33)26-35(44)45)17-20-41-21-23-42(24-22-41)36-31-15-11-12-16-34(31)48-40-36;1-5-34(6-2)30(38)39-29(20(3)4)36-25-19-24(31)21(17-22(25)18-27(36)37)11-12-33-13-15-35(16-14-33)28-23-9-7-8-10-26(23)40-32-28;1-4-32(5-2)28(36)37-19(3)34-24-18-23(29)20(16-21(24)17-26(34)35)10-11-31-12-14-33(15-13-31)27-22-8-6-7-9-25(22)38-30-27;1-4-28(2,3)37-27(35)36-18-33-23-17-22(29)19(15-20(23)16-25(33)34)9-10-31-11-13-32(14-12-31)26-21-7-5-6-8-24(21)38-30-26;1-2-3-14-35-27(34)36-18-32-23-17-22(28)19(15-20(23)16-25(32)33)8-9-30-10-12-31(13-11-30)26-21-6-4-5-7-24(21)37-29-26;1-2-13-34-26(33)35-17-31-22-16-21(27)18(14-19(22)15-24(31)32)7-8-29-9-11-30(12-10-29)25-20-5-3-4-6-23(20)36-28-25/h11-12,15-16,25,27-28,37H,5-10,13-14,17-24,26H2,1-4H3;7-10,17,19-20,29H,5-6,11-16,18H2,1-4H3;6-9,16,18-19H,4-5,10-15,17H2,1-3H3;5-8,15,17H,4,9-14,16,18H2,1-3H3;4-7,15,17H,2-3,8-14,16,18H2,1H3;3-6,14,16H,2,7-13,15,17H2,1H3.
What are the key properties of 1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate?
1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate has a molecular weight of 3465.99 g/mol, XLogP of 34.82, 59 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]ethyl N,N-diethylcarbamate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl butyl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl 2-methylbutan-2-yl carbonate;[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl propyl carbonate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-diethylcarbamate;[1-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]-2-methylpropyl] N,N-dihexylcarbamate is sourced from PubChem (CID 162153124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).