rel-(1R,6S)-3-[(2,4-dimethylphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
Chemical Structure Depiction of
rel-(1R,6S)-3-[(2,4-dimethylphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
rel-(1R,6S)-3-[(2,4-dimethylphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane
Compound characteristics
| Compound ID: | S616-1534 |
| Compound Name: | rel-(1R,6S)-3-[(2,4-dimethylphenyl)methyl]-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octane |
| Molecular Weight: | 308.44 |
| Molecular Formula: | C16 H24 N2 O2 S |
| Smiles: | Cc1ccc(CN2CC[C@@H]3CN([C@@H]3C2)S(C)(=O)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4206 |
| logD: | 2.398 |
| logSw: | -2.5949 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.439 |
| InChI Key: | NKJPNXCIOWRTEP-CVEARBPZSA-N |