1-[4-(methanesulfonyl)piperazin-1-yl]-2-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(methanesulfonyl)piperazin-1-yl]-2-(4-nitrophenyl)ethan-1-one
1-[4-(methanesulfonyl)piperazin-1-yl]-2-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | Y205-4238 |
| Compound Name: | 1-[4-(methanesulfonyl)piperazin-1-yl]-2-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C13 H17 N3 O5 S |
| Smiles: | CS(N1CCN(CC1)C(Cc1ccc(cc1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6847 |
| logD: | 0.6847 |
| logSw: | -2.1161 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.024 |
| InChI Key: | DKUQTDQENHUHQX-UHFFFAOYSA-N |