2-(methylsulfanyl)-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(methylsulfanyl)-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3207 |
| Compound Name: | 2-(methylsulfanyl)-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C19 H22 N4 O4 S |
| Smiles: | COc1cc(c(cc1C1C2=C(CCCC2=O)Nc2nc(nn12)SC)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5877 |
| logD: | 2.4815 |
| logSw: | -3.0711 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.229 |
| InChI Key: | SWOSKLOMEAWWPB-KRWDZBQOSA-N |