2-(thiophen-2-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}azepane
Chemical Structure Depiction of
2-(thiophen-2-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}azepane
2-(thiophen-2-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}azepane
Compound characteristics
| Compound ID: | J006-1220 |
| Compound Name: | 2-(thiophen-2-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}azepane |
| Molecular Weight: | 339.42 |
| Molecular Formula: | C18 H20 F3 N S |
| Smiles: | C1CCC(c2cccs2)N(CC1)Cc1ccc(cc1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2711 |
| logD: | 4.3749 |
| logSw: | -5.6168 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 4.9085 |
| InChI Key: | JKTOHMKGDDGDPT-INIZCTEOSA-N |