methyl 6-tert-butyl-2-{[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-tert-butyl-2-{[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-{[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0560 |
| Compound Name: | methyl 6-tert-butyl-2-{[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 562.63 |
| Molecular Formula: | C26 H25 F3 N4 O3 S2 |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC(c3cc4nc(cc(C(F)(F)F)n4n3)c3cccs3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9469 |
| logD: | 4.3002 |
| logSw: | -5.7195 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.396 |
| InChI Key: | LHWITGBYBJZXQT-CYBMUJFWSA-N |