1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0117 |
| Compound Name: | 1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C26 H22 N4 O S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c2nnc3SCc2ccc(C=C)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2372 |
| logD: | 5.2372 |
| logSw: | -5.0391 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | AJFMRZHUOWYWES-UHFFFAOYSA-N |