rel-(1R,6S)-3-[(2,3-dimethoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
Chemical Structure Depiction of
rel-(1R,6S)-3-[(2,3-dimethoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
rel-(1R,6S)-3-[(2,3-dimethoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
Compound characteristics
| Compound ID: | S616-1284 |
| Compound Name: | rel-(1R,6S)-3-[(2,3-dimethoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane |
| Molecular Weight: | 340.44 |
| Molecular Formula: | C16 H24 N2 O4 S |
| Smiles: | COc1cccc(CN2CC[C@@H]3CN([C@@H]3C2)S(C)(=O)=O)c1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3851 |
| logD: | 1.1425 |
| logSw: | -2.2015 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.786 |
| InChI Key: | LYNCFFCUABMXKV-OCCSQVGLSA-N |