6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y040-4229 |
| Compound Name: | 6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C21 H13 Cl O5 S |
| Smiles: | COc1ccc(cc1)C1=CC(=O)Oc2cc(c(cc12)[Cl])OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9251 |
| logD: | 4.9251 |
| logSw: | -5.1587 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.401 |
| InChI Key: | VRZIPVIWULVGIS-UHFFFAOYSA-N |