1-chloro-2-[(2-nitrophenyl)sulfanyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid
Chemical Structure Depiction of
1-chloro-2-[(2-nitrophenyl)sulfanyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid
1-chloro-2-[(2-nitrophenyl)sulfanyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid
Compound characteristics
| Compound ID: | 8008-3379 |
| Compound Name: | 1-chloro-2-[(2-nitrophenyl)sulfanyl]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C25 H21 Cl N2 O4 S |
| Smiles: | C1C2C(C(C1Sc1ccccc1[N+]([O-])=O)[Cl])c1cc(ccc1NC2c1ccccc1)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.719 |
| logD: | 4.813 |
| logSw: | -5.853 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.539 |
| InChI Key: | GEQGUCRYYIPLPX-UHFFFAOYSA-N |