4-[(4-fluorophenyl)methyl]-1-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-1-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-fluorophenyl)methyl]-1-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0087 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-1-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C24 H19 F N4 O S |
| Smiles: | Cc1ccccc1CSc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3262 |
| logD: | 5.3262 |
| logSw: | -5.2126 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | SOQWYWJCBLPXKZ-UHFFFAOYSA-N |