ethyl 2-(2,2-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2,2-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2,2-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y030-6184 |
| Compound Name: | ethyl 2-(2,2-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 323.45 |
| Molecular Formula: | C17 H25 N O3 S |
| Smiles: | CCC(C)(C)C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5905 |
| logD: | 1.7638 |
| logSw: | -4.4173 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.07 |
| InChI Key: | UJEMEKRRZXKJPA-UHFFFAOYSA-N |