9-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0898 |
| Compound Name: | 9-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C21 H26 F N5 O2 |
| Smiles: | Cc1cc(C(N2CCCN3CCN(Cc4ccc(cc4)F)C(C3C2)=O)=O)nn1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7698 |
| logD: | 0.7682 |
| logSw: | -1.5438 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.222 |
| InChI Key: | AHPOICFCLPTPLD-IBGZPJMESA-N |