2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)quinazolin-4(3H)-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V005-9567 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 396.87 |
| Molecular Formula: | C21 H14 Cl F N2 O S |
| Smiles: | C(c1ccc(cc1)[Cl])SC1=Nc2ccccc2C(N1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5226 |
| logD: | 4.5224 |
| logSw: | -4.8708 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1595 |
| InChI Key: | ITIYJCWALCQREW-UHFFFAOYSA-N |