rel-(3aR,7aR)-5-benzyl-2-(1-ethyl-5-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-ethyl-5-methyl-1H-pyrazole-4-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-5-benzyl-2-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0359 |
| Compound Name: | rel-(3aR,7aR)-5-benzyl-2-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | [H][C@]12CC(N(Cc3ccccc3)C[C@]2([H])CN(C1)C(c1cnn(CC)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4692 |
| logD: | 1.4692 |
| logSw: | -2.0195 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.603 |
| InChI Key: | KBDBQLUCCYQONJ-MSOLQXFVSA-N |