1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0131 |
| Compound Name: | 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 440.57 |
| Molecular Formula: | C26 H24 N4 O S |
| Smiles: | Cc1ccc(C)c(CSc2nnc3N(CCc4ccccc4)C(c4ccccc4n23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8236 |
| logD: | 5.8236 |
| logSw: | -5.4382 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.29 |
| InChI Key: | YKLBPIQTJNWNIO-UHFFFAOYSA-N |