[rel-(3aR,7aR)-2-benzyl-5-(3-fluorobenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-5-(3-fluorobenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aR)-2-benzyl-5-(3-fluorobenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1818 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-5-(3-fluorobenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 404.5 |
| Molecular Formula: | C21 H25 F N2 O3 S |
| Smiles: | C1CN(C[C@@H]2CN(Cc3ccccc3)C[C@]12CO)S(c1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6905 |
| logD: | -0.6057 |
| logSw: | -2.8317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.692 |
| InChI Key: | UBINXCPMGAFIFJ-WIYYLYMNSA-N |