ethyl 6-tert-butyl-2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-tert-butyl-2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0405 |
| Compound Name: | ethyl 6-tert-butyl-2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C22 H28 F3 N3 O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(Cn1c(C)cc(C(F)(F)F)n1)=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1862 |
| logD: | 2.8397 |
| logSw: | -5.0708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.785 |
| InChI Key: | ARYLZUCNAYNXCA-CYBMUJFWSA-N |