2-{[(3-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
2-{[(3-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | D718-0108 |
| Compound Name: | 2-{[(3-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: | Cc1cccc(CSc2nc3N=C4CCCC(C4=Cn3n2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0348 |
| logD: | 3.0348 |
| logSw: | -3.1932 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.393 |
| InChI Key: | DBRQFUBQCIJCCI-UHFFFAOYSA-N |