2-{[(3-methylphenyl)methyl]sulfanyl}-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
2-{[(3-methylphenyl)methyl]sulfanyl}-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | D718-0122 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]sulfanyl}-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C23 H20 N4 O S |
| Smiles: | Cc1cccc(CSc2nc3N=C4CC(CC(C4=Cn3n2)=O)c2ccccc2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8203 |
| logD: | 4.8203 |
| logSw: | -4.7065 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.121 |
| InChI Key: | DOYUWHKAGHBDRY-GOSISDBHSA-N |