methyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4491-0785 |
| Compound Name: | methyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 484.36 |
| Molecular Formula: | C20 H22 Br N O6 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1cc(c(c(c1[Br])OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5409 |
| logD: | 1.4859 |
| logSw: | -4.4911 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.283 |
| InChI Key: | DRKVHWNHYXKRJW-UHFFFAOYSA-N |