{1-chloro-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl}(morpholin-4-yl)methanone
Chemical Structure Depiction of
{1-chloro-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl}(morpholin-4-yl)methanone
{1-chloro-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl}(morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | 4698-0803 |
| Compound Name: | {1-chloro-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl}(morpholin-4-yl)methanone |
| Molecular Weight: | 595.07 |
| Molecular Formula: | C29 H27 Cl N4 O6 S |
| Smiles: | C1C2C(C(C1Sc1ccccc1[N+]([O-])=O)[Cl])c1cc(ccc1NC2c1ccc(cc1)[N+]([O-])=O)C(N1CCOCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4866 |
| logD: | 5.4866 |
| logSw: | -5.8248 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.069 |
| InChI Key: | SWBJMVQWGWSWFZ-UHFFFAOYSA-N |