3-(4-chlorophenyl)-2-{[(2,6-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-{[(2,6-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-(4-chlorophenyl)-2-{[(2,6-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V005-9603 |
| Compound Name: | 3-(4-chlorophenyl)-2-{[(2,6-difluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 414.86 |
| Molecular Formula: | C21 H13 Cl F2 N2 O S |
| Smiles: | C(c1c(cccc1F)F)SC1=Nc2ccccc2C(N1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9869 |
| logD: | 4.9868 |
| logSw: | -5.2627 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1595 |
| InChI Key: | LYEYOGPYVGPIMN-UHFFFAOYSA-N |