ethyl 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
ethyl 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8755-0321 |
| Compound Name: | ethyl 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 521.34 |
| Molecular Formula: | C21 H17 Br N2 O7 S |
| Smiles: | CCOC(c1c2ccc(c(c2sc1NC(C)=O)OCC(c1ccc(cc1)[N+]([O-])=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2843 |
| logD: | 4.2739 |
| logSw: | -4.6331 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.806 |
| InChI Key: | KHMOLMGINZXGDF-UHFFFAOYSA-N |