9-(3,4-dimethoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3,4-dimethoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3,4-dimethoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0126 |
| Compound Name: | 9-(3,4-dimethoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | Cc1cccc(CSc2nc3NC4CCCC(C=4C(c4ccc(c(c4)OC)OC)n3n2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9292 |
| logD: | 4.8673 |
| logSw: | -4.7489 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.327 |
| InChI Key: | FOOVTSBVXJTWKU-QHCPKHFHSA-N |