{4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-phenylpiperazin-1-yl)methanone
Chemical Structure Depiction of
{4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-phenylpiperazin-1-yl)methanone
{4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-phenylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | K673-0246 |
| Compound Name: | {4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-phenylpiperazin-1-yl)methanone |
| Molecular Weight: | 501.51 |
| Molecular Formula: | C24 H21 F2 N3 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc(c(c1)[N+]([O-])=O)S(Cc1cc(ccc1F)F)(=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1718 |
| logD: | 4.1718 |
| logSw: | -4.4267 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.992 |
| InChI Key: | VPJJKDXTXCWYBJ-UHFFFAOYSA-N |