3-(2-iodophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2-iodophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-(2-iodophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3643-1615 |
| Compound Name: | 3-(2-iodophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
| Molecular Weight: | 399.19 |
| Molecular Formula: | C17 H10 I N3 O |
| Smiles: | C(=C(C#N)/C1NC(c2ccccc2N=1)=O)\c1ccccc1I |
| Stereo: | ACHIRAL |
| logP: | 3.0671 |
| logD: | 1.6189 |
| logSw: | -3.8814 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.947 |
| InChI Key: | COUBYWQFURDLBJ-UHFFFAOYSA-N |