ethyl 6-tert-butyl-2-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-tert-butyl-2-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-2-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | K061-0711 |
Compound Name: | ethyl 6-tert-butyl-2-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 570.63 |
Molecular Formula: | C29 H29 F3 N4 O3 S |
Smiles: | CCOC(c1c2CCC(Cc2sc1NC(c1cnn2c(cc(c3ccccc3)nc12)C(F)(F)F)=O)C(C)(C)C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 7.4452 |
logD: | 4.1399 |
logSw: | -5.585 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.728 |
InChI Key: | YTZASWIHMRFWOL-QGZVFWFLSA-N |