6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl thiophene-2-carboxylate
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y040-0100 |
| Compound Name: | 6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 348.8 |
| Molecular Formula: | C17 H13 Cl O4 S |
| Smiles: | CCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7559 |
| logD: | 4.7559 |
| logSw: | -4.9715 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.129 |
| InChI Key: | CJPKGGWZOQDEPY-UHFFFAOYSA-N |