(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone
Chemical Structure Depiction of
(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone
(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone
Compound characteristics
| Compound ID: | K672-0170 |
| Compound Name: | (4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrophenyl)(4-methylpiperidin-1-yl)methanone |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | CC1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)SCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5153 |
| logD: | 4.5153 |
| logSw: | -4.3534 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.696 |
| InChI Key: | RJLJGDRYKCUMGN-UHFFFAOYSA-N |