(2,4-dimethylphenyl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
Chemical Structure Depiction of
(2,4-dimethylphenyl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
(2,4-dimethylphenyl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
Compound characteristics
| Compound ID: | S616-1255 |
| Compound Name: | (2,4-dimethylphenyl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone |
| Molecular Weight: | 322.42 |
| Molecular Formula: | C16 H22 N2 O3 S |
| Smiles: | Cc1ccc(C(N2CC[C@@H]3CN([C@@H]3C2)S(C)(=O)=O)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8671 |
| logD: | 1.8671 |
| logSw: | -2.6526 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.354 |
| InChI Key: | XCMIPNDHQOMPOJ-HIFRSBDPSA-N |