4-benzyl-1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-benzyl-1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0079 |
| Compound Name: | 4-benzyl-1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 450.92 |
| Molecular Formula: | C23 H16 Cl F N4 O S |
| Smiles: | C(c1ccccc1)N1C(c2ccccc2n2c1nnc2SCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3966 |
| logD: | 5.3966 |
| logSw: | -5.8979 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | PPXAILTZWWKNTB-UHFFFAOYSA-N |