[4-(4-methoxyphenyl)piperazin-1-yl]{4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone
Chemical Structure Depiction of
[4-(4-methoxyphenyl)piperazin-1-yl]{4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone
[4-(4-methoxyphenyl)piperazin-1-yl]{4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone
Compound characteristics
| Compound ID: | K673-0167 |
| Compound Name: | [4-(4-methoxyphenyl)piperazin-1-yl]{4-[(4-methylphenyl)methanesulfonyl]-3-nitrophenyl}methanone |
| Molecular Weight: | 509.58 |
| Molecular Formula: | C26 H27 N3 O6 S |
| Smiles: | Cc1ccc(CS(c2ccc(cc2[N+]([O-])=O)C(N2CCN(CC2)c2ccc(cc2)OC)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9503 |
| logD: | 3.9503 |
| logSw: | -4.1213 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.536 |
| InChI Key: | WNYJDAIDZZTHEI-UHFFFAOYSA-N |