rel-(3aR,7aR)-5-benzyl-2-(1-methyl-1H-pyrazole-4-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-5-benzyl-2-(1-methyl-1H-pyrazole-4-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-5-benzyl-2-(1-methyl-1H-pyrazole-4-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0365 |
| Compound Name: | rel-(3aR,7aR)-5-benzyl-2-(1-methyl-1H-pyrazole-4-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 338.41 |
| Molecular Formula: | C19 H22 N4 O2 |
| Smiles: | [H][C@]12CC(N(Cc3ccccc3)C[C@]2([H])CN(C1)C(c1cnn(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5808 |
| logD: | 0.5808 |
| logSw: | -1.3239 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.487 |
| InChI Key: | VSYPBEZNFSLJTQ-WBVHZDCISA-N |