4-[(4-methylphenyl)methyl]-1-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-1-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-methylphenyl)methyl]-1-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0111 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-1-{[(4-methylphenyl)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(CN2C(c3ccccc3n3c2nnc3SCc2ccc(C)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0662 |
| logD: | 5.0662 |
| logSw: | -4.6507 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | KLPYTFVNELVDSF-UHFFFAOYSA-N |