2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-9-(4-fluorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-9-(4-fluorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-9-(4-fluorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2971 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-9-(4-fluorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C26 H27 F N4 O S |
| Smiles: | Cc1ccc(CSc2nc3NC4CC(C)(C)CC(C=4C(c4ccc(cc4)F)n3n2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3433 |
| logD: | 6.2042 |
| logSw: | -5.4098 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | VHLUCDYLZLGIOQ-QHCPKHFHSA-N |