ethyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0683 |
| Compound Name: | ethyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 558.58 |
| Molecular Formula: | C27 H25 F3 N4 O4 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1cnn2c(cc(c3ccc(cc3)OC)nc12)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4093 |
| logD: | 3.104 |
| logSw: | -5.6901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.271 |
| InChI Key: | NNJNNPZGPUVWIR-CQSZACIVSA-N |