(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone
Chemical Structure Depiction of
(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone
(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone
Compound characteristics
| Compound ID: | K672-0016 |
| Compound Name: | (4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone |
| Molecular Weight: | 388.46 |
| Molecular Formula: | C20 H21 F N2 O3 S |
| Smiles: | CC1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)SCc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.656 |
| logD: | 4.656 |
| logSw: | -4.5085 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.696 |
| InChI Key: | OGRHYQWSIHRSBS-UHFFFAOYSA-N |