3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 6147-1268 |
| Compound Name: | 3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C28 H17 N5 O2 |
| Smiles: | [H]C(=C(C#N)/C1NC(c2ccccc2N=1)=O)\c1cn(c2ccccc2)nc1c1cc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 4.8339 |
| logD: | 3.4595 |
| logSw: | -5.38 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.873 |
| InChI Key: | YBLBMMHXPKJWGD-UHFFFAOYSA-N |