2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-0453 |
| Compound Name: | 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 521.4 |
| Molecular Formula: | C20 H24 Br F3 N4 O2 S |
| Smiles: | Cc1c(c(C(F)(F)F)nn1CC(Nc1c(C(N)=O)c2CCC(Cc2s1)C(C)(C)C)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5689 |
| logD: | 3.1098 |
| logSw: | -3.9529 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.637 |
| InChI Key: | OJZPFBJDANNLTI-SNVBAGLBSA-N |