5-[(3-fluorophenyl)methyl]-7-methyl-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
Chemical Structure Depiction of
5-[(3-fluorophenyl)methyl]-7-methyl-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
5-[(3-fluorophenyl)methyl]-7-methyl-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
Compound characteristics
Compound ID: | L152-0987 |
Compound Name: | 5-[(3-fluorophenyl)methyl]-7-methyl-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide |
Molecular Weight: | 498.56 |
Molecular Formula: | C28 H27 F N6 O2 |
Smiles: | Cc1ccc2c(c1)N(Cc1cccc(c1)F)C(c1nc(C(NCCCN(C)c3ccccc3)=O)nn12)=O |
Stereo: | ACHIRAL |
logP: | 4.0268 |
logD: | 4.0219 |
logSw: | -4.0348 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.083 |
InChI Key: | AIWRFZLAFUMFJU-UHFFFAOYSA-N |