cyclopropyl[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
cyclopropyl[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
cyclopropyl[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | S858-1212 |
| Compound Name: | cyclopropyl[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 356.46 |
| Molecular Formula: | C21 H28 N2 O3 |
| Smiles: | C1COc2ccc(CN3CC[C@H]4CN(C[C@]4(C3)CO)C(C3CC3)=O)cc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7536 |
| logD: | -0.8426 |
| logSw: | -2.1336 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.39 |
| InChI Key: | MVPDTGQDONKPHD-WIYYLYMNSA-N |