2-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Chemical Structure Depiction of
2-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
2-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | D718-0323 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one |
| Molecular Weight: | 324.4 |
| Molecular Formula: | C17 H16 N4 O S |
| Smiles: | Cc1ccc(CSc2nc3N=C4CCCC(C4=Cn3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.534 |
| logD: | 2.534 |
| logSw: | -2.6072 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.393 |
| InChI Key: | DWMSPTLUIGBUGP-UHFFFAOYSA-N |