2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-methylquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-methylquinazolin-4(3H)-one
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-methylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y502-5254 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-methylquinazolin-4(3H)-one |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C16 H12 Cl F N2 O S |
| Smiles: | CN1C(=Nc2ccccc2C1=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.5872 |
| logD: | 3.5872 |
| logSw: | -3.9579 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8082 |
| InChI Key: | VPFGHGHPLWGLRM-UHFFFAOYSA-N |