2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3643-1634 |
| Compound Name: | 2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 363.37 |
| Molecular Formula: | C20 H17 N3 O4 |
| Smiles: | COc1cc(/C=C(C#N)/C2NC(c3ccccc3N=2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2667 |
| logD: | 0.9207 |
| logSw: | -3.2312 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.925 |
| InChI Key: | KVJQYCLXJHKNCV-UHFFFAOYSA-N |