9-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2-ethoxyphenyl)-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: | C650-0165 |
| Compound Name: | 9-(2-ethoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CCOc1ccccc1C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8089 |
| logD: | 5.747 |
| logSw: | -5.3285 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.277 |
| InChI Key: | WSGBRJIXRZQUHN-QHCPKHFHSA-N |