ethyl 2-{[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | A0005469 |
Compound Name: | ethyl 2-{[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 528.55 |
Molecular Formula: | C26 H23 F3 N4 O3 S |
Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc2nc(cc(C(F)(F)F)n2n1)c1ccc(C)cc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 6.5512 |
logD: | 3.9045 |
logSw: | -5.6646 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.957 |
InChI Key: | QVXRBGFMCWMGQV-UHFFFAOYSA-N |