methyl 3-(4-methoxybenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 3-(4-methoxybenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
methyl 3-(4-methoxybenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | C200-2870 |
| Compound Name: | methyl 3-(4-methoxybenzene-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 374.37 |
| Molecular Formula: | C18 H14 O7 S |
| Smiles: | COC(c1ccc2c(C=C(C(=O)O2)S(c2ccc(cc2)OC)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.962 |
| logD: | 2.962 |
| logSw: | -3.4828 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.379 |
| InChI Key: | DLHABOGGCFWJIV-UHFFFAOYSA-N |