{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Compound characteristics
| Compound ID: | S997-0682 |
| Compound Name: | {rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)Cc1c[nH]nc1c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9295 |
| logD: | -1.4967 |
| logSw: | -2.0509 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.646 |
| InChI Key: | XOUUFJSHLCBFFY-IEBWSBKVSA-N |