2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2921 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 476.57 |
| Molecular Formula: | C26 H25 F N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2nc(nn12)SCC(c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2031 |
| logD: | 5.0641 |
| logSw: | -5.0904 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.314 |
| InChI Key: | KMXWUVHQWDZIEE-QHCPKHFHSA-N |