methyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0686 |
| Compound Name: | methyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 544.55 |
| Molecular Formula: | C26 H23 F3 N4 O4 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(c3cnn4c(cc(c5ccc(cc5)OC)nc34)C(F)(F)F)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.027 |
| logD: | 2.7217 |
| logSw: | -5.5115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.692 |
| InChI Key: | ZANQNHDSHFJDST-CYBMUJFWSA-N |