7-fluoro-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
Chemical Structure Depiction of
7-fluoro-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
7-fluoro-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
Compound characteristics
| Compound ID: | P516-0411 |
| Compound Name: | 7-fluoro-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C18 H14 F N5 O2 S |
| Smiles: | CSc1ccc(CNC(c2c3C(Nc4cc(ccc4n3nn2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5874 |
| logD: | 1.7973 |
| logSw: | -3.1461 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.671 |
| InChI Key: | RKOSRSPKMPMXMU-UHFFFAOYSA-N |