9-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
9-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
9-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | SD67-0658 |
| Compound Name: | 9-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C22 H26 F N5 O3 |
| Smiles: | Cc1cc(C)n(CC(N2CCCN3C(C2)C(N(CC3=O)Cc2ccc(cc2)F)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2282 |
| logD: | -0.2282 |
| logSw: | -1.5355 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.503 |
| InChI Key: | XVPYBNMRYNEYCU-IBGZPJMESA-N |