ethyl 2-(3,3-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,3-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3,3-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V008-0188 |
| Compound Name: | ethyl 2-(3,3-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 323.45 |
| Molecular Formula: | C17 H25 N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3447 |
| logD: | 1.6308 |
| logSw: | -4.3183 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.856 |
| InChI Key: | COEATCDIGHVOAF-UHFFFAOYSA-N |