ethyl 2-{[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0493 |
| Compound Name: | ethyl 2-{[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 563 |
| Molecular Formula: | C26 H22 Cl F3 N4 O3 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccccc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0318 |
| logD: | 3.4465 |
| logSw: | -6.6291 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.274 |
| InChI Key: | GACIRDUNUQTKQL-CYBMUJFWSA-N |