{4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperidin-1-yl)methanone
{4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperidin-1-yl)methanone
Compound characteristics
| Compound ID: | K673-0258 |
| Compound Name: | {4-[(2,5-difluorophenyl)methanesulfonyl]-3-nitrophenyl}(4-methylpiperidin-1-yl)methanone |
| Molecular Weight: | 438.45 |
| Molecular Formula: | C20 H20 F2 N2 O5 S |
| Smiles: | CC1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)S(Cc1cc(ccc1F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8669 |
| logD: | 3.8669 |
| logSw: | -4.0551 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.732 |
| InChI Key: | GRSLGUOGJIFECH-UHFFFAOYSA-N |