[rel-(3aR,7aS)-2-(methanesulfonyl)-5-(3-phenylpropyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-(3-phenylpropyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-(3-phenylpropyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol
Compound characteristics
| Compound ID: | S996-0253 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-5-(3-phenylpropyl)octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl]methanol |
| Molecular Weight: | 352.49 |
| Molecular Formula: | C18 H28 N2 O3 S |
| Smiles: | CS(N1C[C@H]2CCN(CCCc3ccccc3)C[C@]2(C1)CO)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6938 |
| logD: | -0.139 |
| logSw: | -2.074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.434 |
| InChI Key: | RZIFXRBOEVSHTP-QZTJIDSGSA-N |