8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0484 |
| Compound Name: | 8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-[(3-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C21 H24 F N5 O3 |
| Smiles: | Cc1cc(C(N2CCC3C(N(CC(N3CC2)=O)Cc2cccc(c2)F)=O)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1224 |
| logD: | 0.1224 |
| logSw: | -1.4008 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.413 |
| InChI Key: | QYGCSUYBYQCQGC-KRWDZBQOSA-N |