1-{[4-(methylsulfanyl)phenyl]methyl}-2-(3-methylthiophen-2-yl)azepane
Chemical Structure Depiction of
1-{[4-(methylsulfanyl)phenyl]methyl}-2-(3-methylthiophen-2-yl)azepane
1-{[4-(methylsulfanyl)phenyl]methyl}-2-(3-methylthiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J006-1527 |
| Compound Name: | 1-{[4-(methylsulfanyl)phenyl]methyl}-2-(3-methylthiophen-2-yl)azepane |
| Molecular Weight: | 331.54 |
| Molecular Formula: | C19 H25 N S2 |
| Smiles: | Cc1ccsc1C1CCCCCN1Cc1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6869 |
| logD: | 5.4944 |
| logSw: | -5.4198 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 4.9085 |
| InChI Key: | WKCHNRODVILGCT-SFHVURJKSA-N |