9-[3-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonyl]-2-(2-methylpropyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
9-[3-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonyl]-2-(2-methylpropyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
9-[3-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonyl]-2-(2-methylpropyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | SD67-0257 |
| Compound Name: | 9-[3-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonyl]-2-(2-methylpropyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C24 H31 N5 O3 |
| Smiles: | CC(C)CN1CC(N2CCCN(CC2C1=O)C(c1c[nH]nc1c1ccc(C)cc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3503 |
| logD: | 2.3503 |
| logSw: | -2.9505 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.485 |
| InChI Key: | GTIQBXFTGHDVJF-FQEVSTJZSA-N |