4-benzyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-benzyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0083 |
| Compound Name: | 4-benzyl-1-{[(4-ethenylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C25 H20 N4 O S |
| Smiles: | C=Cc1ccc(CSc2nnc3N(Cc4ccccc4)C(c4ccccc4n23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8138 |
| logD: | 4.8138 |
| logSw: | -4.8155 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | ABRQMYSFYBLZBL-UHFFFAOYSA-N |