4-benzyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-benzyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0080 |
| Compound Name: | 4-benzyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C25 H22 N4 O S |
| Smiles: | Cc1ccc(C)c(CSc2nnc3N(Cc4ccccc4)C(c4ccccc4n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7245 |
| logD: | 5.7245 |
| logSw: | -5.4204 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | GIGJVWFVMNIIAS-UHFFFAOYSA-N |