9-(2,5-dimethoxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2,5-dimethoxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2,5-dimethoxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3206 |
| Compound Name: | 9-(2,5-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(c(c1)C1C2=C(CCCC2=O)Nc2nc(nn12)SC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3165 |
| logD: | 3.2103 |
| logSw: | -3.8235 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.512 |
| InChI Key: | FUTVSZGSGCRDNN-INIZCTEOSA-N |