[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[3-(thiophen-2-yl)-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-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-0679 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C17 H24 N4 O3 S2 |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)Cc1c[nH]nc1c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9838 |
| logD: | -1.6162 |
| logSw: | -2.072 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.664 |
| InChI Key: | SATRYWALGSUXON-RHSMWYFYSA-N |