rel-(1R,6S)-3-[(5-chloro-2-fluorophenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
Chemical Structure Depiction of
rel-(1R,6S)-3-[(5-chloro-2-fluorophenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
rel-(1R,6S)-3-[(5-chloro-2-fluorophenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
Compound characteristics
| Compound ID: | S616-1257 |
| Compound Name: | rel-(1R,6S)-3-[(5-chloro-2-fluorophenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane |
| Molecular Weight: | 332.82 |
| Molecular Formula: | C14 H18 Cl F N2 O2 S |
| Smiles: | CS(N1C[C@H]2CCN(Cc3cc(ccc3F)[Cl])C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2801 |
| logD: | 2.2782 |
| logSw: | -3.0961 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.439 |
| InChI Key: | CURRKTYAAIFALS-HZMBPMFUSA-N |