propan-2-yl 5-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamido}-4-cyano-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
propan-2-yl 5-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamido}-4-cyano-3-methylthiophene-2-carboxylate
propan-2-yl 5-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamido}-4-cyano-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y502-2919 |
| Compound Name: | propan-2-yl 5-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamido}-4-cyano-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 507.33 |
| Molecular Formula: | C18 H18 Br F3 N4 O3 S |
| Smiles: | CC(C(Nc1c(C#N)c(C)c(C(=O)OC(C)C)s1)=O)n1c(C)c(c(C(F)(F)F)n1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7232 |
| logD: | 2.3177 |
| logSw: | -4.2724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.448 |
| InChI Key: | WEAANAZNQRELSV-JTQLQIEISA-N |