ethyl 6-tert-butyl-2-(3,3-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-tert-butyl-2-(3,3-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-2-(3,3-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-6951 |
| Compound Name: | ethyl 6-tert-butyl-2-(3,3-dimethylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 379.56 |
| Molecular Formula: | C21 H33 N O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CC(C)(C)C)=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9019 |
| logD: | 3.188 |
| logSw: | -5.4852 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.856 |
| InChI Key: | NTUNPZDCRWXCJT-CYBMUJFWSA-N |