4-({[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
4-({[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V005-9557 |
| Compound Name: | 4-({[3-(4-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C22 H14 N4 O3 S |
| Smiles: | C(c1ccc(C#N)cc1)SC1=Nc2ccccc2C(N1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4789 |
| logD: | 3.4788 |
| logSw: | -3.9987 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.597 |
| InChI Key: | LCOLKJKVFUJXIO-UHFFFAOYSA-N |