4-benzyl-1-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-benzyl-1-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0070 |
| Compound Name: | 4-benzyl-1-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C24 H20 N4 O S |
| Smiles: | Cc1ccccc1CSc1nnc2N(Cc3ccccc3)C(c3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2971 |
| logD: | 5.2971 |
| logSw: | -5.2068 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | XQMLHUGQAUAQJV-UHFFFAOYSA-N |