[rel-(3aR,7aS)-5-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-5-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-0677 |
| Compound Name: | [rel-(3aR,7aS)-5-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C19 H25 F N4 O3 S |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)Cc1c[nH]nc1c1ccc(cc1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0636 |
| logD: | -1.3626 |
| logSw: | -2.1503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.646 |
| InChI Key: | IRWDWLVHOXDOQV-VQIMIIECSA-N |