[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Compound characteristics
| Compound ID: | S996-0299 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C16 H28 N4 O3 S |
| Smiles: | CC(C)n1cc(CN2CC[C@@H]3CN(C[C@@]3(C2)CO)S(C)(=O)=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0058 |
| logD: | -6.4787 |
| logSw: | -1.2014 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.417 |
| InChI Key: | PTNYUUADRJTCCR-HZPDHXFCSA-N |