6,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Chemical Structure Depiction of
6,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
6,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | Y021-1908 |
| Compound Name: | 6,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one |
| Molecular Weight: | 352.46 |
| Molecular Formula: | C19 H20 N4 O S |
| Smiles: | Cc1cccc(CSc2nc3N=C4CC(C)(C)CC(C4=Cn3n2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6592 |
| logD: | 3.6592 |
| logSw: | -3.8845 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.393 |
| InChI Key: | YNWOEXXEDADJGO-UHFFFAOYSA-N |