methyl 4,5-dimethyl-2-{2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-{2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}thiophene-3-carboxylate
methyl 4,5-dimethyl-2-{2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0740 |
| Compound Name: | methyl 4,5-dimethyl-2-{2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}thiophene-3-carboxylate |
| Molecular Weight: | 420.36 |
| Molecular Formula: | C15 H15 F3 N4 O5 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(Cn2c(C)c(c(C(F)(F)F)n2)[N+]([O-])=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 2.6686 |
| logD: | 0.2809 |
| logSw: | -2.8386 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.611 |
| InChI Key: | AJKIXILSGQCHBY-UHFFFAOYSA-N |