9-(2-ethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2-ethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2-ethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2923 |
| Compound Name: | 9-(2-ethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2nc(nn12)SCC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1879 |
| logD: | 5.0489 |
| logSw: | -5.0961 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.524 |
| InChI Key: | ASZKJUKMHRQOPS-DEOSSOPVSA-N |