ethyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0640 |
| Compound Name: | ethyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 550.44 |
| Molecular Formula: | C22 H27 Br F3 N3 O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(Cn1c(C)c(c(C(F)(F)F)n1)[Br])=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7142 |
| logD: | 3.3676 |
| logSw: | -5.3817 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.332 |
| InChI Key: | JXKHNUZVTIYZMX-GFCCVEGCSA-N |