3-(2,5-dichlorophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2,5-dichlorophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-(2,5-dichlorophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3643-1603 |
| Compound Name: | 3-(2,5-dichlorophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
| Molecular Weight: | 342.18 |
| Molecular Formula: | C17 H9 Cl2 N3 O |
| Smiles: | C(=C(C#N)/C1NC(c2ccccc2N=1)=O)/c1cc(ccc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6804 |
| logD: | 1.4127 |
| logSw: | -4.261 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.947 |
| InChI Key: | YYRCKGYNMUIIIR-UHFFFAOYSA-N |