ethyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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-bromo-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3209-0863 |
| Compound Name: | ethyl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 611.48 |
| Molecular Formula: | C26 H26 Br F3 N4 O3 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1c(c2NC(CC(C(F)(F)F)n2n1)c1ccccc1)[Br])=O)=O |
| Stereo: | MIXTURE OF ISOMERS |
| logP: | 6.683 |
| logD: | 3.5242 |
| logSw: | -5.773 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.62 |
| InChI Key: | RFSIZVZWIPFAGT-UHFFFAOYSA-N |