(azepan-1-yl)(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)methanone
Chemical Structure Depiction of
(azepan-1-yl)(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)methanone
(azepan-1-yl)(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | K672-0002 |
| Compound Name: | (azepan-1-yl)(4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)methanone |
| Molecular Weight: | 388.46 |
| Molecular Formula: | C20 H21 F N2 O3 S |
| Smiles: | C1CCCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)SCc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8216 |
| logD: | 4.8216 |
| logSw: | -4.8586 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.027 |
| InChI Key: | WMEWSUGBKDZYFU-UHFFFAOYSA-N |