[3-(4-ethylphenyl)-1H-pyrazol-5-yl][rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
[3-(4-ethylphenyl)-1H-pyrazol-5-yl][rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
[3-(4-ethylphenyl)-1H-pyrazol-5-yl][rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S858-6012 |
| Compound Name: | [3-(4-ethylphenyl)-1H-pyrazol-5-yl][rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | CCc1ccc(cc1)c1cc(C(N2CC[C@H]3CN(C[C@]3(C2)CO)S(C)(=O)=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2604 |
| logD: | 2.2598 |
| logSw: | -2.7915 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.861 |
| InChI Key: | ASPRCLAILKEKPG-DYESRHJHSA-N |