rel-(3aR,7aR)-2-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aR)-2-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
rel-(3aR,7aR)-2-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide
Compound characteristics
| Compound ID: | S997-1773 |
| Compound Name: | rel-(3aR,7aR)-2-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxamide |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C20 H27 N3 O5 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3408 |
| logD: | 0.3408 |
| logSw: | -2.0272 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.237 |
| InChI Key: | FULZIFHXAWOYTQ-MGPUTAFESA-N |