N-{[4-(diethylamino)phenyl]methyl}-7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
Chemical Structure Depiction of
N-{[4-(diethylamino)phenyl]methyl}-7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
N-{[4-(diethylamino)phenyl]methyl}-7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
Compound characteristics
Compound ID: | P516-0416 |
Compound Name: | N-{[4-(diethylamino)phenyl]methyl}-7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide |
Molecular Weight: | 408.43 |
Molecular Formula: | C21 H21 F N6 O2 |
Smiles: | CCN(CC)c1ccc(CNC(c2c3C(Nc4cc(ccc4n3nn2)F)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.6786 |
logD: | 2.6786 |
logSw: | -3.1336 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.407 |
InChI Key: | GIAQXVLEAFNXLY-UHFFFAOYSA-N |