9-(1-ethyl-1H-pyrazole-5-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(1-ethyl-1H-pyrazole-5-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(1-ethyl-1H-pyrazole-5-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0897 |
| Compound Name: | 9-(1-ethyl-1H-pyrazole-5-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: | CCn1c(ccn1)C(N1CCCN2CCN(Cc3ccc(cc3)F)C(C2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8906 |
| logD: | 0.889 |
| logSw: | -1.5049 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.825 |
| InChI Key: | MJOLWCSLLIGMOZ-IBGZPJMESA-N |