rel-(1R,6S)-3-[(4-fluoro-3-methoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
Chemical Structure Depiction of
rel-(1R,6S)-3-[(4-fluoro-3-methoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
rel-(1R,6S)-3-[(4-fluoro-3-methoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
Compound characteristics
| Compound ID: | S616-1606 |
| Compound Name: | rel-(1R,6S)-3-[(4-fluoro-3-methoxyphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane |
| Molecular Weight: | 328.4 |
| Molecular Formula: | C15 H21 F N2 O3 S |
| Smiles: | COc1cc(CN2CC[C@@H]3CN([C@@H]3C2)S(C)(=O)=O)ccc1F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4135 |
| logD: | 1.3052 |
| logSw: | -2.4315 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.069 |
| InChI Key: | UDDBQANFIOPSOD-OCCSQVGLSA-N |