ethyl 2-acetamido-6-bromo-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-acetamido-6-bromo-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]-1-benzothiophene-3-carboxylate
ethyl 2-acetamido-6-bromo-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | L068-0529 |
Compound Name: | ethyl 2-acetamido-6-bromo-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]-1-benzothiophene-3-carboxylate |
Molecular Weight: | 507.4 |
Molecular Formula: | C22 H23 Br N2 O5 S |
Smiles: | CCOC(c1c2ccc(c(c2sc1NC(C)=O)OCc1c(C)c(c(C)cn1)OC)[Br])=O |
Stereo: | ACHIRAL |
logP: | 4.6431 |
logD: | 4.6315 |
logSw: | -4.5241 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.298 |
InChI Key: | XHMPPVGANOCWKH-UHFFFAOYSA-N |