ethyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0448 |
| Compound Name: | ethyl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 468.29 |
| Molecular Formula: | C16 H17 Br F3 N3 O3 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(Cn1c(C)c(c(C(F)(F)F)n1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6993 |
| logD: | 1.3116 |
| logSw: | -4.1504 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.411 |
| InChI Key: | ZZVXDWQJNCCJBG-UHFFFAOYSA-N |