N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-0839 |
| Compound Name: | N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 424.49 |
| Molecular Formula: | C20 H23 F3 N4 O S |
| Smiles: | CCC(C)(C)C1CCc2c(C#N)c(NC(c3cc(C(F)(F)F)nn3C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.558 |
| logD: | 2.0647 |
| logSw: | -4.459 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.617 |
| InChI Key: | GURQFCVFVJGOBA-LLVKDONJSA-N |