{4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
{4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperazin-1-yl)methanone
{4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | K673-0264 |
| Compound Name: | {4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 439.44 |
| Molecular Formula: | C19 H19 F2 N3 O5 S |
| Smiles: | CN1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)S(Cc1cc(ccc1F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3546 |
| logD: | 2.2239 |
| logSw: | -2.7937 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.209 |
| InChI Key: | NRGXSAOYQWEGRS-UHFFFAOYSA-N |