6,6-dimethyl-2-(methylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6,6-dimethyl-2-(methylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-2-(methylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3198 |
| Compound Name: | 6,6-dimethyl-2-(methylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3OC)OC)OC)n3c(N2)nc(n3)SC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6499 |
| logD: | 3.424 |
| logSw: | -4.0219 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.403 |
| InChI Key: | VGMWRDROHNOZLY-INIZCTEOSA-N |