1-chloro-4-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid
Chemical Structure Depiction of
1-chloro-4-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid
1-chloro-4-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid
Compound characteristics
| Compound ID: | 8010-0220 |
| Compound Name: | 1-chloro-4-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylic acid |
| Molecular Weight: | 525.97 |
| Molecular Formula: | C25 H20 Cl N3 O6 S |
| Smiles: | C1C2C(C(C1Sc1ccccc1[N+]([O-])=O)[Cl])c1cc(ccc1NC2c1cccc(c1)[N+]([O-])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5566 |
| logD: | 4.6506 |
| logSw: | -5.9219 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.92 |
| InChI Key: | IZYGMLSUEPIQQQ-UHFFFAOYSA-N |