9-(1-ethyl-1H-pyrazole-4-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
9-(1-ethyl-1H-pyrazole-4-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
9-(1-ethyl-1H-pyrazole-4-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | SD67-0677 |
| Compound Name: | 9-(1-ethyl-1H-pyrazole-4-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C21 H24 F N5 O3 |
| Smiles: | CCn1cc(cn1)C(N1CCCN2C(C1)C(N(CC2=O)Cc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0155 |
| logD: | 0.0155 |
| logSw: | -1.3494 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.525 |
| InChI Key: | OJHNCTAMFIJNCC-SFHVURJKSA-N |