rel-(1R,6S)-8-(methanesulfonyl)-3-[(4-methoxy-3-methylphenyl)methyl]-3,8-diazabicyclo[4.2.0]octane
Chemical Structure Depiction of
rel-(1R,6S)-8-(methanesulfonyl)-3-[(4-methoxy-3-methylphenyl)methyl]-3,8-diazabicyclo[4.2.0]octane
rel-(1R,6S)-8-(methanesulfonyl)-3-[(4-methoxy-3-methylphenyl)methyl]-3,8-diazabicyclo[4.2.0]octane
Compound characteristics
| Compound ID: | S616-1282 |
| Compound Name: | rel-(1R,6S)-8-(methanesulfonyl)-3-[(4-methoxy-3-methylphenyl)methyl]-3,8-diazabicyclo[4.2.0]octane |
| Molecular Weight: | 324.44 |
| Molecular Formula: | C16 H24 N2 O3 S |
| Smiles: | Cc1cc(CN2CC[C@@H]3CN([C@@H]3C2)S(C)(=O)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7657 |
| logD: | 1.7536 |
| logSw: | -2.4809 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.069 |
| InChI Key: | OFPNGTBSOCCNEA-CABCVRRESA-N |