3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]propan-1-one
Compound characteristics
| Compound ID: | S616-1428 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]propan-1-one |
| Molecular Weight: | 340.44 |
| Molecular Formula: | C15 H24 N4 O3 S |
| Smiles: | Cc1cc(C)n(CCC(N2CC[C@@H]3CN([C@@H]3C2)S(C)(=O)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5309 |
| logD: | -0.5312 |
| logSw: | -1.3393 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.812 |
| InChI Key: | AUZWSVRLIJLBTL-KGLIPLIRSA-N |