diethyl 5-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C226-1236 |
| Compound Name: | diethyl 5-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 472.47 |
| Molecular Formula: | C22 H20 N2 O8 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1cc(c2ccc3c(c2)OCO3)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2457 |
| logD: | 2.1227 |
| logSw: | -4.3973 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.282 |
| InChI Key: | NEKBFGRFZXIYGG-UHFFFAOYSA-N |