3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3643-1642 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C25 H18 Cl N3 O3 |
| Smiles: | COc1cc(/C=C(C#N)/C2NC(c3ccccc3N=2)=O)ccc1OCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2519 |
| logD: | 2.9059 |
| logSw: | -4.7966 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.892 |
| InChI Key: | WBIUPJRZGNQTLI-UHFFFAOYSA-N |