ethyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2774-1155 |
| Compound Name: | ethyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 649.53 |
| Molecular Formula: | C29 H28 Br F3 N4 O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccccc1)[Br])=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.2043 |
| logD: | 4.6191 |
| logSw: | -5.671 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.274 |
| InChI Key: | MODMAGMSNNMHTF-MRXNPFEDSA-N |