2-(ethylsulfanyl)-6,6-dimethyl-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-(ethylsulfanyl)-6,6-dimethyl-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(ethylsulfanyl)-6,6-dimethyl-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: | Y020-1272 |
| Compound Name: | 2-(ethylsulfanyl)-6,6-dimethyl-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | CCSc1nc2NC3CC(C)(C)CC(C=3C(c3cc(c(cc3OC)OC)OC)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5935 |
| logD: | 3.3675 |
| logSw: | -3.7877 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.229 |
| InChI Key: | YUFRYGGZSIVOAX-IBGZPJMESA-N |