ethyl 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 2-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 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: | 1890-1097 |
| Compound Name: | ethyl 2-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 514.53 |
| Molecular Formula: | C25 H21 F3 N4 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cnn2c(cc(c3ccccc3)nc12)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8879 |
| logD: | 2.5826 |
| logSw: | -5.3665 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.728 |
| InChI Key: | DGYVCJHXUSGXTI-UHFFFAOYSA-N |