{4-[(2-chlorophenyl)methanesulfonyl]-3-nitrophenyl}[4-(pyridin-2-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{4-[(2-chlorophenyl)methanesulfonyl]-3-nitrophenyl}[4-(pyridin-2-yl)piperazin-1-yl]methanone
{4-[(2-chlorophenyl)methanesulfonyl]-3-nitrophenyl}[4-(pyridin-2-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | K673-0054 |
| Compound Name: | {4-[(2-chlorophenyl)methanesulfonyl]-3-nitrophenyl}[4-(pyridin-2-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 500.96 |
| Molecular Formula: | C23 H21 Cl N4 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc(c(c1)[N+]([O-])=O)S(Cc1ccccc1[Cl])(=O)=O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.0048 |
| logD: | 3.996 |
| logSw: | -4.4005 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.504 |
| InChI Key: | ASWWIJZCKSFRRK-UHFFFAOYSA-N |