diethyl 5-{[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C226-0552 |
| Compound Name: | diethyl 5-{[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 507.36 |
| Molecular Formula: | C21 H19 Br N2 O6 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1cc(c2ccc(cc2)[Br])on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2524 |
| logD: | 3.1294 |
| logSw: | -5.2014 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.167 |
| InChI Key: | DIQYQYRIERVCCM-UHFFFAOYSA-N |