(1-ethyl-3-methyl-1H-pyrazol-4-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(1-ethyl-3-methyl-1H-pyrazol-4-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(1-ethyl-3-methyl-1H-pyrazol-4-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S858-1952 |
| Compound Name: | (1-ethyl-3-methyl-1H-pyrazol-4-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C16 H26 N4 O4 S |
| Smiles: | CCn1cc(C(N2CC[C@H]3CN(C[C@]3(C2)CO)S(C)(=O)=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6952 |
| logD: | -0.6952 |
| logSw: | -1.5697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.227 |
| InChI Key: | MCGFQJUHJBZOJC-CZUORRHYSA-N |