[rel-(3aR,7aR)-2-benzyl-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aR)-2-benzyl-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1884 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-5-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C22 H27 F N2 O4 S |
| Smiles: | COc1ccc(cc1S(N1CC[C@]2(CN(Cc3ccccc3)C[C@H]2C1)CO)(=O)=O)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4573 |
| logD: | -0.8389 |
| logSw: | -2.5395 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.322 |
| InChI Key: | BBVWLKJRBMPHCF-XMSQKQJNSA-N |