ethyl 5-acetyl-2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]amino}-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]amino}-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]amino}-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C226-1237 |
| Compound Name: | ethyl 5-acetyl-2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]amino}-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C21 H18 N2 O7 S |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(c1cc(c2ccc3c(c2)OCO3)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6428 |
| logD: | 0.7924 |
| logSw: | -4.1252 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.355 |
| InChI Key: | TWPZRHAMWHCBCC-UHFFFAOYSA-N |