[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-phenyl-1H-pyrazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-phenyl-1H-pyrazol-4-yl)methanone
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-phenyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | S997-0680 |
| Compound Name: | [rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-phenyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C19 H24 N4 O4 S |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)C(c1c[nH]nc1c1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4317 |
| logD: | 0.4317 |
| logSw: | -2.4126 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.562 |
| InChI Key: | GWHFIJRWNMXRIG-DNVCBOLYSA-N |