2-{[3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
2-{[3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C260-0404 |
| Compound Name: | 2-{[3-(3,4-dimethoxyphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C24 H19 N3 O4 |
| Smiles: | COc1ccc(cc1OC)N1C(c2ccccc2N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8191 |
| logD: | 2.8191 |
| logSw: | -3.504 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.972 |
| InChI Key: | VJPWXPRRHYWPNH-UHFFFAOYSA-N |