rel-(3aR,7aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S997-1292 |
| Compound Name: | rel-(3aR,7aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 425.5 |
| Molecular Formula: | C19 H27 N3 O6 S |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)S(C)(=O)=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2024 |
| logD: | 0.2023 |
| logSw: | -2.4595 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.324 |
| InChI Key: | YRUPBCCMBTVSQO-AUUYWEPGSA-N |