methyl 2-acetamido-6-bromo-7-{2-[(4-fluorophenyl)(methyl)amino]-2-oxoethoxy}-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-acetamido-6-bromo-7-{2-[(4-fluorophenyl)(methyl)amino]-2-oxoethoxy}-1-benzothiophene-3-carboxylate
methyl 2-acetamido-6-bromo-7-{2-[(4-fluorophenyl)(methyl)amino]-2-oxoethoxy}-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0711 |
| Compound Name: | methyl 2-acetamido-6-bromo-7-{2-[(4-fluorophenyl)(methyl)amino]-2-oxoethoxy}-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 509.35 |
| Molecular Formula: | C21 H18 Br F N2 O5 S |
| Smiles: | CC(Nc1c(C(=O)OC)c2ccc(c(c2s1)OCC(N(C)c1ccc(cc1)F)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4161 |
| logD: | 3.4057 |
| logSw: | -4.0905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.711 |
| InChI Key: | WRVXXUMCXZKYQT-UHFFFAOYSA-N |