1-{[4-(methylsulfanyl)phenyl]methyl}-2-(thiophen-2-yl)azepane
Chemical Structure Depiction of
1-{[4-(methylsulfanyl)phenyl]methyl}-2-(thiophen-2-yl)azepane
1-{[4-(methylsulfanyl)phenyl]methyl}-2-(thiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J006-1526 |
| Compound Name: | 1-{[4-(methylsulfanyl)phenyl]methyl}-2-(thiophen-2-yl)azepane |
| Molecular Weight: | 317.51 |
| Molecular Formula: | C18 H23 N S2 |
| Smiles: | CSc1ccc(CN2CCCCCC2c2cccs2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1176 |
| logD: | 4.835 |
| logSw: | -4.9327 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 4.9085 |
| InChI Key: | QQPRDMPTVRVUMU-KRWDZBQOSA-N |