(1-ethyl-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
(1-ethyl-1H-pyrazol-5-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(1-ethyl-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: | S996-0294 |
| Compound Name: | (1-ethyl-1H-pyrazol-5-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C15 H24 N4 O4 S |
| Smiles: | CCn1c(ccn1)C(N1CC[C@@H]2CN(C[C@@]2(C1)CO)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.7061 |
| logD: | -0.7061 |
| logSw: | -1.6964 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.461 |
| InChI Key: | LQFUTPATUFJOAL-IUODEOHRSA-N |