3-(3-fluorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
3-(3-fluorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
3-(3-fluorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E543-0682 |
| Compound Name: | 3-(3-fluorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-8-carboxamide |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C24 H18 F N5 O2 S |
| Smiles: | CSc1ccc(CNC(c2ccc3C(Nc4c(c5cccc(c5)F)nnn4c3c2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9139 |
| logD: | 3.9131 |
| logSw: | -4.1097 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.644 |
| InChI Key: | HVGKVUVNVRZRSG-UHFFFAOYSA-N |