(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(3-methylpiperidin-1-yl)methanone
Chemical Structure Depiction of
(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(3-methylpiperidin-1-yl)methanone
(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(3-methylpiperidin-1-yl)methanone
Compound characteristics
| Compound ID: | K672-0080 |
| Compound Name: | (4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(3-methylpiperidin-1-yl)methanone |
| Molecular Weight: | 388.46 |
| Molecular Formula: | C20 H21 F N2 O3 S |
| Smiles: | CC1CCCN(C1)C(c1ccc(c(c1)[N+]([O-])=O)SCc1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4966 |
| logD: | 4.4966 |
| logSw: | -4.456 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.629 |
| InChI Key: | UETJCGKYYAKJMW-AWEZNQCLSA-N |