rel-(1R,6S)-8-(methanesulfonyl)-3-{[2-(trifluoromethyl)phenyl]methyl}-3,8-diazabicyclo[4.2.0]octane
Chemical Structure Depiction of
rel-(1R,6S)-8-(methanesulfonyl)-3-{[2-(trifluoromethyl)phenyl]methyl}-3,8-diazabicyclo[4.2.0]octane
rel-(1R,6S)-8-(methanesulfonyl)-3-{[2-(trifluoromethyl)phenyl]methyl}-3,8-diazabicyclo[4.2.0]octane
Compound characteristics
| Compound ID: | S616-1236 |
| Compound Name: | rel-(1R,6S)-8-(methanesulfonyl)-3-{[2-(trifluoromethyl)phenyl]methyl}-3,8-diazabicyclo[4.2.0]octane |
| Molecular Weight: | 348.39 |
| Molecular Formula: | C15 H19 F3 N2 O2 S |
| Smiles: | CS(N1C[C@H]2CCN(Cc3ccccc3C(F)(F)F)C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2945 |
| logD: | 2.2934 |
| logSw: | -2.8543 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.439 |
| InChI Key: | NFSQAQFVDXHXCD-OCCSQVGLSA-N |