4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V003-3945 |
| Compound Name: | 4-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 403.89 |
| Molecular Formula: | C22 H14 Cl N3 O S |
| Smiles: | C(c1ccc(C#N)cc1)SC1=Nc2ccccc2C(N1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1479 |
| logD: | 4.1478 |
| logSw: | -4.695 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.216 |
| InChI Key: | NWWABIWMMYWYBL-UHFFFAOYSA-N |