[rel-(3aR,7aS)-2-(methanesulfonyl)-5-({4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl}methyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-({4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl}methyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-({4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl}methyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-0694 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-5-({4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl}methyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C22 H32 N4 O4 S |
| Smiles: | Cc1nccn1Cc1cc(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)ccc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5607 |
| logD: | -0.3877 |
| logSw: | -2.1119 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.373 |
| InChI Key: | YXRGVIGWLXIBFP-IFMALSPDSA-N |