3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl thiophene-2-carboxylate
3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 4593-1557 |
| Compound Name: | 3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 426.87 |
| Molecular Formula: | C22 H15 Cl O5 S |
| Smiles: | Cc1cc(cc(C)c1[Cl])OC1=COc2cc(ccc2C1=O)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7008 |
| logD: | 5.7008 |
| logSw: | -6.0259 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.966 |
| InChI Key: | BFZDWPZROKQAQD-UHFFFAOYSA-N |