3-(2,5-dimethoxyphenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2,5-dimethoxyphenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-(2,5-dimethoxyphenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3643-1625 |
| Compound Name: | 3-(2,5-dimethoxyphenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C19 H15 N3 O3 |
| Smiles: | COc1ccc(c(/C=C(C#N)/C2NC(c3ccccc3N=2)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5774 |
| logD: | 1.516 |
| logSw: | -3.3592 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.121 |
| InChI Key: | NPJUDFYRNIOEHH-UHFFFAOYSA-N |