N-{2-[ethyl(3-methylphenyl)amino]ethyl}-7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
Chemical Structure Depiction of
N-{2-[ethyl(3-methylphenyl)amino]ethyl}-7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
N-{2-[ethyl(3-methylphenyl)amino]ethyl}-7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
Compound characteristics
| Compound ID: | P516-0418 |
| Compound Name: | N-{2-[ethyl(3-methylphenyl)amino]ethyl}-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(CCNC(c1c2C(Nc3cc(ccc3n2nn1)F)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7074 |
| logD: | 1.9173 |
| logSw: | -3.0333 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.502 |
| InChI Key: | FPEPIBIWHAITLB-UHFFFAOYSA-N |