4-[(4-methylphenyl)methyl]-1-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-1-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-methylphenyl)methyl]-1-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0104 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-1-{[(2-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(c3ccccc3n3c2nnc3SCc2ccccc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7205 |
| logD: | 5.7205 |
| logSw: | -5.411 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.312 |
| InChI Key: | DENTUGQRRVZOSK-UHFFFAOYSA-N |