propan-2-yl 2-(3,4-dimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-(3,4-dimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-(3,4-dimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0254 |
| Compound Name: | propan-2-yl 2-(3,4-dimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 417.52 |
| Molecular Formula: | C22 H27 N O5 S |
| Smiles: | CC1CCc2c(C(=O)OC(C)C)c(NC(c3ccc(c(c3)OC)OC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.708 |
| logD: | 1.9841 |
| logSw: | -4.683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.738 |
| InChI Key: | KZZATVYJHGDJSE-CYBMUJFWSA-N |