[rel-(3aR,7aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1140 |
| Compound Name: | [rel-(3aR,7aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C16 H28 N4 O3 S |
| Smiles: | CCn1c(C)c(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1561 |
| logD: | -5.5016 |
| logSw: | -1.0982 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.381 |
| InChI Key: | GTMGGUXQWWOZFC-HZPDHXFCSA-N |