4-(4-oxoquinazolin-3(4H)-yl)benzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-(4-oxoquinazolin-3(4H)-yl)benzene-1,2-dicarbonitrile
4-(4-oxoquinazolin-3(4H)-yl)benzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8008-6066 |
| Compound Name: | 4-(4-oxoquinazolin-3(4H)-yl)benzene-1,2-dicarbonitrile |
| Molecular Weight: | 272.26 |
| Molecular Formula: | C16 H8 N4 O |
| Smiles: | C1=Nc2ccccc2C(N1c1ccc(C#N)c(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3284 |
| logD: | 1.3276 |
| logSw: | -2.2522 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 60.006 |
| InChI Key: | AUPAQYJOUZGIEJ-UHFFFAOYSA-N |