9-(2,3-dimethoxyphenyl)-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2,3-dimethoxyphenyl)-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2,3-dimethoxyphenyl)-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | Y020-1271 |
| Compound Name: | 9-(2,3-dimethoxyphenyl)-2-(ethylsulfanyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCSc1nc2NC3CC(C)(C)CC(C=3C(c3cccc(c3OC)OC)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0084 |
| logD: | 3.7825 |
| logSw: | -4.1979 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.686 |
| InChI Key: | NBGJIPGSABEXGL-KRWDZBQOSA-N |