(1-ethyl-1H-pyrazol-5-yl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
Chemical Structure Depiction of
(1-ethyl-1H-pyrazol-5-yl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
(1-ethyl-1H-pyrazol-5-yl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
Compound characteristics
| Compound ID: | S616-1226 |
| Compound Name: | (1-ethyl-1H-pyrazol-5-yl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C13 H20 N4 O3 S |
| Smiles: | CCn1c(ccn1)C(N1CC[C@@H]2CN([C@@H]2C1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2189 |
| logD: | -0.2189 |
| logSw: | -1.8241 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.443 |
| InChI Key: | VGKQUCSGSBEFOK-PWSUYJOCSA-N |