methyl 6-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 6-methyl-2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-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: | Y508-0947 |
| Compound Name: | methyl 6-methyl-2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 415.43 |
| Molecular Formula: | C18 H20 F3 N3 O3 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(Cn3c(C)cc(C(F)(F)F)n3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6806 |
| logD: | 1.3341 |
| logSw: | -4.1946 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.206 |
| InChI Key: | VCJZJBBLTDFYFX-SECBINFHSA-N |