4-({[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
4-({[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V008-6328 |
| Compound Name: | 4-({[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 387.43 |
| Molecular Formula: | C22 H14 F N3 O S |
| Smiles: | C(c1ccc(C#N)cc1)SC1=Nc2ccccc2C(N1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5823 |
| logD: | 3.5822 |
| logSw: | -3.9497 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.216 |
| InChI Key: | CEKHYDLAZRJUEC-UHFFFAOYSA-N |