N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
Compound ID: | K061-0526 |
Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
Molecular Weight: | 513.54 |
Molecular Formula: | C25 H22 F3 N5 O2 S |
Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3cc4nc(cc(C(F)(F)F)n4n3)c3ccco3)=O)sc2C1 |
Stereo: | RACEMIC MIXTURE |
logP: | 6.1289 |
logD: | 4.5029 |
logSw: | -5.462 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.838 |
InChI Key: | RDDLGKKHOCSNCD-CYBMUJFWSA-N |