6-[4-(methylsulfanyl)phenyl]-5-nitropiperidin-2-one
Chemical Structure Depiction of
6-[4-(methylsulfanyl)phenyl]-5-nitropiperidin-2-one
6-[4-(methylsulfanyl)phenyl]-5-nitropiperidin-2-one
Compound characteristics
| Compound ID: | 3490-5523 |
| Compound Name: | 6-[4-(methylsulfanyl)phenyl]-5-nitropiperidin-2-one |
| Molecular Weight: | 266.32 |
| Molecular Formula: | C12 H14 N2 O3 S |
| Smiles: | CSc1ccc(cc1)C1C(CCC(N1)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.731 |
| logD: | 0.802 |
| logSw: | -2.4174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.259 |
| InChI Key: | KGPRPRLZOPUBMT-UHFFFAOYSA-N |