methyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-0966 |
| Compound Name: | methyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 401.41 |
| Molecular Formula: | C17 H18 F3 N3 O3 S |
| Smiles: | Cc1cc(C(F)(F)F)nn1CC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2467 |
| logD: | 0.9001 |
| logSw: | -3.5302 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.206 |
| InChI Key: | YXFGCOJHECEDGO-UHFFFAOYSA-N |