{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}[4-(pyridin-2-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}[4-(pyridin-2-yl)piperazin-1-yl]methanone
{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}[4-(pyridin-2-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | K672-0362 |
| Compound Name: | {4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}[4-(pyridin-2-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | C1CN(CCN1C(c1ccc(c(c1)[N+]([O-])=O)Sc1cccc(c1)[Cl])=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 5.0976 |
| logD: | 5.0887 |
| logSw: | -5.5236 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.467 |
| InChI Key: | CURAKBRAZFSLQP-UHFFFAOYSA-N |