methyl 2-{2-[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-7081 |
| Compound Name: | methyl 2-{2-[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 480.51 |
| Molecular Formula: | C22 H23 F3 N4 O3 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(Cn3c4c(c(cc(C)n4)C(F)(F)F)c(C)n3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4324 |
| logD: | 2.1639 |
| logSw: | -4.6313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.342 |
| InChI Key: | RGVOQHBAJJNKIG-SNVBAGLBSA-N |