methyl 2-acetamido-6-bromo-7-[(3-methylphenyl)methoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-acetamido-6-bromo-7-[(3-methylphenyl)methoxy]-1-benzothiophene-3-carboxylate
methyl 2-acetamido-6-bromo-7-[(3-methylphenyl)methoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0648 |
| Compound Name: | methyl 2-acetamido-6-bromo-7-[(3-methylphenyl)methoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 448.33 |
| Molecular Formula: | C20 H18 Br N O4 S |
| Smiles: | CC(Nc1c(C(=O)OC)c2ccc(c(c2s1)OCc1cccc(C)c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2593 |
| logD: | 5.2489 |
| logSw: | -5.3454 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.598 |
| InChI Key: | RNXCADZNBRCPSR-UHFFFAOYSA-N |