2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-9-(4-fluorophenyl)-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)-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)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-1414 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C24 H23 F N4 O S |
| Smiles: | Cc1ccc(CSc2nc3NC4CCCC(C=4C(c4ccc(cc4)F)n3n2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7377 |
| logD: | 5.6758 |
| logSw: | -5.32 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | DHMSTSBBSKJNKE-QFIPXVFZSA-N |