9-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-ethoxyphenyl)-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: | Y020-1249 |
| Compound Name: | 9-(4-ethoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C20 H24 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2nc(nn12)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1105 |
| logD: | 3.8846 |
| logSw: | -4.1421 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.462 |
| InChI Key: | ZAZAASIRZAEPPA-KRWDZBQOSA-N |