6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y040-0458 |
| Compound Name: | 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 320.75 |
| Molecular Formula: | C15 H9 Cl O4 S |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8141 |
| logD: | 3.8141 |
| logSw: | -4.3795 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.129 |
| InChI Key: | XZODKGLHCFQICE-UHFFFAOYSA-N |