N-(2,5-difluorophenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
N-(2,5-difluorophenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Compound characteristics
Compound ID: | G802-1147 |
Compound Name: | N-(2,5-difluorophenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide |
Molecular Weight: | 485.51 |
Molecular Formula: | C23 H21 F2 N5 O3 S |
Smiles: | CCC(C(Nc1cc(ccc1F)F)=O)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)OCC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5198 |
logD: | 3.4975 |
logSw: | -3.7356 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.491 |
InChI Key: | MKZVUZVNRNUVDI-IBGZPJMESA-N |