6,6-dimethyl-9-(4-methylphenyl)-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
6,6-dimethyl-9-(4-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-9-(4-methylphenyl)-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: | C202-2881 |
| Compound Name: | 6,6-dimethyl-9-(4-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2nc(nn12)SCC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.069 |
| logD: | 4.93 |
| logSw: | -4.7307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.314 |
| InChI Key: | ZSWGXOXOCJQTEL-QHCPKHFHSA-N |