Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
C146H140BrCl6F3N18O9S3 — CID 159624528
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACbenzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESC/N=C(\SCc1ccccc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.C=CCOc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.COCC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(CN2CCCN(C)CC2)cc1.COCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(C(N)=O)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)Nc2ccc(C(F)(F)F)cc2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H33BrN4O2.C27H26ClN3OS.C26H21ClF3N3OS.C25H21Cl2N3OS.C21H20ClN3O3.C20H19ClN2O/c1-30-11-3-12-31(15-14-30)17-19-4-6-20(7-5-19)27-26-22(10-13-32(27)25(33)18-34-2)23-16-21(28)8-9-24(23)29-26;1-29-27(33-17-18-6-4-3-5-7-18)31-15-14-22-23-16-20(28)10-13-24(23)30-25(22)26(31)19-8-11-21(32-2)12-9-19;1-34-19-9-2-15(3-10-19)24-23-20(21-14-17(27)6-11-22(21)32-23)12-13-33(24)25(35)31-18-7-4-16(5-8-18)26(28,29)30;1-31-19-9-2-15(3-10-19)24-23-20(21-14-17(27)6-11-22(21)29-23)12-13-30(24)25(32)28-18-7-4-16(26)5-8-18;1-28-11-18(26)25-9-8-15-16-10-14(22)6-7-17(16)24-19(15)20(25)12-2-4-13(5-3-12)21(23)27;1-2-11-24-15-6-3-13(4-7-15)19-20-16(9-10-22-19)17-12-14(21)5-8-18(17)23-20/h4-9,16,27,29H,3,10-15,17-18H2,1-2H3;3-13,16,26,30H,14-15,17H2,1-2H3;2-11,14,24,32H,12-13H2,1H3,(H,31,35);2-11,14,24,29H,12-13H2,1H3,(H,28,32);2-7,10,20,24H,8-9,11H2,1H3,(H2,23,27);2-8,12,19,22-23H,1,9-11H2/b;29-27-;;;;
InChIKeyMOHWQYZLKPCHBK-LJTFFCTQSA-N
MW2736.66 g/mol
LogP32.57
Rot. Bonds23
About Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 159624528) has the molecular formula C146H140BrCl6F3N18O9S3 and a molecular weight of 2736.66 g/mol. Its IUPAC name is benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
Molecular Properties
| Compound Name | Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
|---|---|
| PubChem CID | 159624528 |
| Molecular Formula | C146H140BrCl6F3N18O9S3 |
| Molecular Weight | 2736.66 g/mol |
| Exact Mass | 2730.75 |
| IUPAC Name | benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
| SMILES | C/N=C(\SCc1ccccc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.C=CCOc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.COCC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(CN2CCCN(C)CC2)cc1.COCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(C(N)=O)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)Nc2ccc(C(F)(F)F)cc2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)Nc2ccc(Cl)cc2)cc1 |
| InChI | InChI=1S/C27H33BrN4O2.C27H26ClN3OS.C26H21ClF3N3OS.C25H21Cl2N3OS.C21H20ClN3O3.C20H19ClN2O/c1-30-11-3-12-31(15-14-30)17-19-4-6-20(7-5-19)27-26-22(10-13-32(27)25(33)18-34-2)23-16-21(28)8-9-24(23)29-26;1-29-27(33-17-18-6-4-3-5-7-18)31-15-14-22-23-16-20(28)10-13-24(23)30-25(22)26(31)19-8-11-21(32-2)12-9-19;1-34-19-9-2-15(3-10-19)24-23-20(21-14-17(27)6-11-22(21)32-23)12-13-33(24)25(35)31-18-7-4-16(5-8-18)26(28,29)30;1-31-19-9-2-15(3-10-19)24-23-20(21-14-17(27)6-11-22(21)29-23)12-13-30(24)25(32)28-18-7-4-16(26)5-8-18;1-28-11-18(26)25-9-8-15-16-10-14(22)6-7-17(16)24-19(15)20(25)12-2-4-13(5-3-12)21(23)27;1-2-11-24-15-6-3-13(4-7-15)19-20-16(9-10-22-19)17-12-14(21)5-8-18(17)23-20/h4-9,16,27,29H,3,10-15,17-18H2,1-2H3;3-13,16,26,30H,14-15,17H2,1-2H3;2-11,14,24,32H,12-13H2,1H3,(H,31,35);2-11,14,24,29H,12-13H2,1H3,(H,28,32);2-7,10,20,24H,8-9,11H2,1H3,(H2,23,27);2-8,12,19,22-23H,1,9-11H2/b;29-27-;;;; |
| InChIKey | MOHWQYZLKPCHBK-LJTFFCTQSA-N |
| XLogP | 32.57 |
| TPSA | 298.48 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 186 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2736.66 |
| LogP ≤ 5 | 32.57 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 159624528) is benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is C/N=C(\SCc1ccccc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.C=CCOc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.COCC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(CN2CCCN(C)CC2)cc1.COCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(C(N)=O)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)Nc2ccc(C(F)(F)F)cc2)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is MOHWQYZLKPCHBK-LJTFFCTQSA-N. The full InChI is InChI=1S/C27H33BrN4O2.C27H26ClN3OS.C26H21ClF3N3OS.C25H21Cl2N3OS.C21H20ClN3O3.C20H19ClN2O/c1-30-11-3-12-31(15-14-30)17-19-4-6-20(7-5-19)27-26-22(10-13-32(27)25(33)18-34-2)23-16-21(28)8-9-24(23)29-26;1-29-27(33-17-18-6-4-3-5-7-18)31-15-14-22-23-16-20(28)10-13-24(23)30-25(22)26(31)19-8-11-21(32-2)12-9-19;1-34-19-9-2-15(3-10-19)24-23-20(21-14-17(27)6-11-22(21)32-23)12-13-33(24)25(35)31-18-7-4-16(5-8-18)26(28,29)30;1-31-19-9-2-15(3-10-19)24-23-20(21-14-17(27)6-11-22(21)29-23)12-13-30(24)25(32)28-18-7-4-16(26)5-8-18;1-28-11-18(26)25-9-8-15-16-10-14(22)6-7-17(16)24-19(15)20(25)12-2-4-13(5-3-12)21(23)27;1-2-11-24-15-6-3-13(4-7-15)19-20-16(9-10-22-19)17-12-14(21)5-8-18(17)23-20/h4-9,16,27,29H,3,10-15,17-18H2,1-2H3;3-13,16,26,30H,14-15,17H2,1-2H3;2-11,14,24,32H,12-13H2,1H3,(H,31,35);2-11,14,24,29H,12-13H2,1H3,(H,28,32);2-7,10,20,24H,8-9,11H2,1H3,(H2,23,27);2-8,12,19,22-23H,1,9-11H2/b;29-27-;;;;.
What are the key properties of Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 2736.66 g/mol, XLogP of 32.57, 23 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for Benzyl 6-chloro-1-(4-methoxyphenyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboximidothioate;1-[6-bromo-1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methoxyethanone;6-chloro-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;4-[6-chloro-2-(2-methoxyacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzamide;6-chloro-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide;6-chloro-1-(4-prop-2-enoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 159624528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159624528 — identifiers, structure, computed properties (public domain)
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