3-(2,5-dichlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2,5-dichlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-(2,5-dichlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V011-8331 |
| Compound Name: | 3-(2,5-dichlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 449.3 |
| Molecular Formula: | C21 H12 Cl2 F2 N2 O S |
| Smiles: | C(c1ccc(c(c1)F)F)SC1=Nc2ccccc2C(N1c1cc(ccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.527 |
| logD: | 5.5269 |
| logSw: | -5.9043 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.8586 |
| InChI Key: | HLKSCNZDBVNKLK-UHFFFAOYSA-N |