2-[(3-benzyl-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(3-benzyl-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)methyl]benzonitrile
2-[(3-benzyl-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | C200-0646 |
| Compound Name: | 2-[(3-benzyl-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)methyl]benzonitrile |
| Molecular Weight: | 367.41 |
| Molecular Formula: | C23 H17 N3 O2 |
| Smiles: | C(c1ccccc1)N1C(c2ccccc2N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9794 |
| logD: | 3.9794 |
| logSw: | -4.4022 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.323 |
| InChI Key: | QGSFOSBRJIKAKL-UHFFFAOYSA-N |