9-(2,4-dimethoxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2,4-dimethoxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2,4-dimethoxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3225 |
| Compound Name: | 9-(2,4-dimethoxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C18 H20 N4 O3 S |
| Smiles: | COc1ccc(C2C3=C(CCCC3=O)Nc3nc(nn23)SC)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.222 |
| logD: | 3.1158 |
| logSw: | -3.6959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.512 |
| InChI Key: | XJSASQBRAZBIMA-INIZCTEOSA-N |