1-chloro-2-[(2-nitrophenyl)sulfanyl]-4-(propan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid
Chemical Structure Depiction of
1-chloro-2-[(2-nitrophenyl)sulfanyl]-4-(propan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid
1-chloro-2-[(2-nitrophenyl)sulfanyl]-4-(propan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid
Compound characteristics
| Compound ID: | 4597-0421 |
| Compound Name: | 1-chloro-2-[(2-nitrophenyl)sulfanyl]-4-(propan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C22 H23 Cl N2 O4 S |
| Smiles: | CC(C)C1C2CC(C(C2c2cccc(C(O)=O)c2N1)[Cl])Sc1ccccc1[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7415 |
| logD: | 2.9879 |
| logSw: | -5.3492 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.558 |
| InChI Key: | NUFQCYGMDGDPAI-UHFFFAOYSA-N |