7-hydroxy-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
7-hydroxy-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-3-carbonitrile
7-hydroxy-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-8679 |
| Compound Name: | 7-hydroxy-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 293.28 |
| Molecular Formula: | C17 H11 N O4 |
| Smiles: | COc1ccc(cc1)C1=C(C#N)C(=O)Oc2cc(ccc12)O |
| Stereo: | ACHIRAL |
| logP: | 2.7007 |
| logD: | 2.5555 |
| logSw: | -3.1159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.106 |
| InChI Key: | LGKJTHKAYCZEHV-UHFFFAOYSA-N |