[rel-(3aR,7aS)-5-[(5-bromo-2-fluorophenyl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-[(5-bromo-2-fluorophenyl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-5-[(5-bromo-2-fluorophenyl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1152 |
| Compound Name: | [rel-(3aR,7aS)-5-[(5-bromo-2-fluorophenyl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 421.33 |
| Molecular Formula: | C16 H22 Br F N2 O3 S |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)Cc1cc(ccc1F)[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.932 |
| logD: | 1.2976 |
| logSw: | -2.486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.456 |
| InChI Key: | UXUIDTAQJPOBRJ-XJKSGUPXSA-N |