[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1H-indazol-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1H-indazol-3-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1H-indazol-3-yl)methanone
Compound characteristics
| Compound ID: | S996-0224 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1H-indazol-3-yl)methanone |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C17 H22 N4 O4 S |
| Smiles: | CS(N1C[C@H]2CCN(C[C@]2(C1)CO)C(c1c2ccccc2[nH]n1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3773 |
| logD: | 0.3773 |
| logSw: | -2.287 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.618 |
| InChI Key: | PGYKJMOBQDONJB-SJKOYZFVSA-N |