dimethyl 5,5'-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethane-1,1-diyl]bis(4-hydroxy-2-methylthiophene-3-carboxylate)
Chemical Structure Depiction of
dimethyl 5,5'-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethane-1,1-diyl]bis(4-hydroxy-2-methylthiophene-3-carboxylate)
dimethyl 5,5'-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethane-1,1-diyl]bis(4-hydroxy-2-methylthiophene-3-carboxylate)
Compound characteristics
| Compound ID: | 8018-4065 |
| Compound Name: | dimethyl 5,5'-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethane-1,1-diyl]bis(4-hydroxy-2-methylthiophene-3-carboxylate) |
| Molecular Weight: | 504.53 |
| Molecular Formula: | C23 H20 O9 S2 |
| Smiles: | Cc1c(C(=O)OC)c(c(C(C(c2ccc3c(c2)OCO3)=O)c2c(c(C(=O)OC)c(C)s2)O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 4.8807 |
| logD: | 4.8797 |
| logSw: | -4.6958 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.892 |
| InChI Key: | SZNRJKLAWFMGGS-UHFFFAOYSA-N |