methyl 2-acetamido-6-bromo-7-[(pyridin-4-yl)methoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-acetamido-6-bromo-7-[(pyridin-4-yl)methoxy]-1-benzothiophene-3-carboxylate
methyl 2-acetamido-6-bromo-7-[(pyridin-4-yl)methoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0732 |
| Compound Name: | methyl 2-acetamido-6-bromo-7-[(pyridin-4-yl)methoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 435.29 |
| Molecular Formula: | C18 H15 Br N2 O4 S |
| Smiles: | CC(Nc1c(C(=O)OC)c2ccc(c(c2s1)OCc1ccncc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2063 |
| logD: | 3.195 |
| logSw: | -3.4063 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.026 |
| InChI Key: | WMCJXAXICFTSRK-UHFFFAOYSA-N |