3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y040-1808 |
| Compound Name: | 3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 300.33 |
| Molecular Formula: | C16 H12 O4 S |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5428 |
| logD: | 3.5428 |
| logSw: | -3.7282 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.556 |
| InChI Key: | INDSAXNWHOOKBJ-UHFFFAOYSA-N |