{4-(4-bromophenyl)-1,8-dichloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl}(phenyl)methanone
Chemical Structure Depiction of
{4-(4-bromophenyl)-1,8-dichloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl}(phenyl)methanone
{4-(4-bromophenyl)-1,8-dichloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | 8010-3226 |
| Compound Name: | {4-(4-bromophenyl)-1,8-dichloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-yl}(phenyl)methanone |
| Molecular Weight: | 654.41 |
| Molecular Formula: | C31 H23 Br Cl2 N2 O3 S |
| Smiles: | C1C2C(C(C1Sc1ccccc1[N+]([O-])=O)[Cl])c1cc(cc(C(c3ccccc3)=O)c1NC2c1ccc(cc1)[Br])[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.8997 |
| logD: | 8.8997 |
| logSw: | -6.695 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.346 |
| InChI Key: | VPRSOPJUGOXLRT-UHFFFAOYSA-N |