8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0881 |
| Compound Name: | 8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H28 F N5 O2 |
| Smiles: | Cc1cc(C)n(CC(N2CCC3C(N(CCN3CC2)Cc2ccc(cc2)F)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4018 |
| logD: | 0.3988 |
| logSw: | -1.6175 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.282 |
| InChI Key: | XWOHCHLFYJGIJN-FQEVSTJZSA-N |