ethyl 5-{3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamido}-4-cyano-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 5-{3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamido}-4-cyano-3-methylthiophene-2-carboxylate
ethyl 5-{3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamido}-4-cyano-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y500-8554 |
| Compound Name: | ethyl 5-{3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamido}-4-cyano-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 493.3 |
| Molecular Formula: | C17 H16 Br F3 N4 O3 S |
| Smiles: | CCOC(c1c(C)c(C#N)c(NC(CCn2c(C)c(c(C(F)(F)F)n2)[Br])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1131 |
| logD: | 1.7721 |
| logSw: | -3.1232 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.446 |
| InChI Key: | ZLNKXUWFZHYTEJ-UHFFFAOYSA-N |