N-{1-chloro-4-(2-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl}acetamide
Chemical Structure Depiction of
N-{1-chloro-4-(2-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl}acetamide
N-{1-chloro-4-(2-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl}acetamide
Compound characteristics
| Compound ID: | 4597-0419 |
| Compound Name: | N-{1-chloro-4-(2-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl}acetamide |
| Molecular Weight: | 539.01 |
| Molecular Formula: | C26 H23 Cl N4 O5 S |
| Smiles: | CC(Nc1ccc2c(c1)C1C(CC(C1[Cl])Sc1ccccc1[N+]([O-])=O)C(c1ccccc1[N+]([O-])=O)N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7324 |
| logD: | 5.7324 |
| logSw: | -5.516 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.473 |
| InChI Key: | IHFQDNXQXWDGJI-UHFFFAOYSA-N |