9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3229 |
| Compound Name: | 9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3OC)OC)n3c(N2)nc(n3)SC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6082 |
| logD: | 3.3822 |
| logSw: | -3.8462 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.686 |
| InChI Key: | HAMMORFBHOAOJV-INIZCTEOSA-N |