[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[4-(propan-2-yl)phenyl]methyl}octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[4-(propan-2-yl)phenyl]methyl}octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[4-(propan-2-yl)phenyl]methyl}octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Compound characteristics
| Compound ID: | S996-0306 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[4-(propan-2-yl)phenyl]methyl}octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol |
| Molecular Weight: | 366.52 |
| Molecular Formula: | C19 H30 N2 O3 S |
| Smiles: | CC(C)c1ccc(CN2CC[C@@H]3CN(C[C@@]3(C2)CO)S(C)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.247 |
| logD: | 0.5738 |
| logSw: | -2.3776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.456 |
| InChI Key: | VOVFHZXRJRNJLV-RTBURBONSA-N |