methyl 4-{rel-(3aR,4S,9bS)-8-[(4-methylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoate
Chemical Structure Depiction of
methyl 4-{rel-(3aR,4S,9bS)-8-[(4-methylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoate
methyl 4-{rel-(3aR,4S,9bS)-8-[(4-methylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoate
Compound characteristics
| Compound ID: | 5408-1488 |
| Compound Name: | methyl 4-{rel-(3aR,4S,9bS)-8-[(4-methylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | [H][C@@]12C=CC[C@@]2([H])[C@@H](c2ccc(cc2)C(=O)OC)Nc2ccc(cc12)S(Nc1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.0796 |
| logD: | 6.0766 |
| logSw: | -5.499 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.145 |
| InChI Key: | JWRFBVMNCFWSHD-FXSPECFOSA-N |