6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y040-3964 |
| Compound Name: | 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 392.81 |
| Molecular Formula: | C18 H13 Cl O6 S |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9032 |
| logD: | 3.9032 |
| logSw: | -4.3907 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.222 |
| InChI Key: | GGKVUSJHDUBPJV-UHFFFAOYSA-N |