rel-(1R,6S)-3-[(3,4-dimethoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
Chemical Structure Depiction of
rel-(1R,6S)-3-[(3,4-dimethoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
rel-(1R,6S)-3-[(3,4-dimethoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
Compound characteristics
| Compound ID: | S616-2195 |
| Compound Name: | rel-(1R,6S)-3-[(3,4-dimethoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane |
| Molecular Weight: | 340.44 |
| Molecular Formula: | C16 H24 N2 O4 S |
| Smiles: | COc1ccc(CN2CC[C@@H]3CN([C@@H]3C2)S(C)(=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9324 |
| logD: | 0.7901 |
| logSw: | -2.2686 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.7 |
| InChI Key: | ZBJDFNSARIIGBB-KGLIPLIRSA-N |