3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y040-3798 |
| Compound Name: | 3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 382.82 |
| Molecular Formula: | C20 H11 Cl O4 S |
| Smiles: | C1=C(C(=O)Oc2cc(ccc12)OC(c1cccs1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9925 |
| logD: | 4.9925 |
| logSw: | -5.4363 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.285 |
| InChI Key: | KYTYHNYFQGVELB-UHFFFAOYSA-N |