methyl 2-acetamido-6-bromo-7-[2-(3,4-dimethylanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-acetamido-6-bromo-7-[2-(3,4-dimethylanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
methyl 2-acetamido-6-bromo-7-[2-(3,4-dimethylanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0662 |
| Compound Name: | methyl 2-acetamido-6-bromo-7-[2-(3,4-dimethylanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 505.39 |
| Molecular Formula: | C22 H21 Br N2 O5 S |
| Smiles: | CC(Nc1c(C(=O)OC)c2ccc(c(c2s1)OCC(Nc1ccc(C)c(C)c1)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0012 |
| logD: | 4.9908 |
| logSw: | -4.9606 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.747 |
| InChI Key: | ZZVRZAGIOQMVEA-UHFFFAOYSA-N |