3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl thiophene-2-carboxylate
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 4358-3578 |
| Compound Name: | 3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C22 H16 O5 S |
| Smiles: | Cc1ccc(C)c(c1)OC1=COc2cc(ccc2C1=O)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1651 |
| logD: | 5.1651 |
| logSw: | -5.0644 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.053 |
| InChI Key: | SHIGFKRBLGOBHQ-UHFFFAOYSA-N |