9-(2,6-dimethoxypyridine-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(2,6-dimethoxypyridine-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(2,6-dimethoxypyridine-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
Compound ID: | SD68-0799 |
Compound Name: | 9-(2,6-dimethoxypyridine-3-carbonyl)-2-[(4-fluorophenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
Molecular Weight: | 442.49 |
Molecular Formula: | C23 H27 F N4 O4 |
Smiles: | COc1ccc(C(N2CCCN3CCN(Cc4ccc(cc4)F)C(C3C2)=O)=O)c(n1)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 2.2372 |
logD: | 2.2365 |
logSw: | -2.7439 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 61.097 |
InChI Key: | DXBMRCQZQOMZBV-IBGZPJMESA-N |