methyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4491-0788 |
| Compound Name: | methyl 2-(2-bromo-3,4,5-trimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 498.39 |
| Molecular Formula: | C21 H24 Br N O6 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(c3cc(c(c(c3[Br])OC)OC)OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9748 |
| logD: | 1.9198 |
| logSw: | -4.7321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.283 |
| InChI Key: | QVZQCRYXGOFPJG-SNVBAGLBSA-N |