3-[(4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile
Chemical Structure Depiction of
3-[(4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile
3-[(4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 8019-8802 |
| Compound Name: | 3-[(4-oxoquinazolin-3(4H)-yl)methyl]benzonitrile |
| Molecular Weight: | 261.28 |
| Molecular Formula: | C16 H11 N3 O |
| Smiles: | C(c1cccc(C#N)c1)N1C=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.5422 |
| logD: | 1.5422 |
| logSw: | -2.2385 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.395 |
| InChI Key: | INGDPXRFSJLWSL-UHFFFAOYSA-N |