2-{[3-(3-methylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(3-methylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
2-{[3-(3-methylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C260-0184 |
| Compound Name: | 2-{[3-(3-methylphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 367.41 |
| Molecular Formula: | C23 H17 N3 O2 |
| Smiles: | Cc1cccc(c1)N1C(c2ccccc2N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6598 |
| logD: | 3.6598 |
| logSw: | -3.9193 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.712 |
| InChI Key: | CWYNTPKWDOLMEU-UHFFFAOYSA-N |