rel-(3aR,7aR)-2-{[4-(propan-2-yl)phenyl]methyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-{[4-(propan-2-yl)phenyl]methyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-{[4-(propan-2-yl)phenyl]methyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0530 |
| Compound Name: | rel-(3aR,7aR)-2-{[4-(propan-2-yl)phenyl]methyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 272.39 |
| Molecular Formula: | C17 H24 N2 O |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(Cc2ccc(cc2)C(C)C)C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2109 |
| logD: | -2.9025 |
| logSw: | -2.7385 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.0791 |
| InChI Key: | BFQQOPVIAGRVID-CVEARBPZSA-N |