4-(4-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid
Chemical Structure Depiction of
4-(4-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid
4-(4-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid
Compound characteristics
| Compound ID: | 8010-2875 |
| Compound Name: | 4-(4-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid |
| Molecular Weight: | 559.87 |
| Molecular Formula: | C25 H20 Br Cl N2 O4 S |
| Smiles: | C1C2C(C(C1Sc1ccccc1[N+]([O-])=O)[Cl])c1cc(ccc1NC2c1ccc(cc1)[Br])C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.5486 |
| logD: | 5.6426 |
| logSw: | -5.9221 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.539 |
| InChI Key: | LNVPUJUQFGAFCB-UHFFFAOYSA-N |