methyl (adamantan-1-yl){[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}acetate
Chemical Structure Depiction of
methyl (adamantan-1-yl){[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}acetate
methyl (adamantan-1-yl){[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}acetate
Compound characteristics
| Compound ID: | K061-0078 |
| Compound Name: | methyl (adamantan-1-yl){[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}acetate |
| Molecular Weight: | 591.43 |
| Molecular Formula: | C27 H26 Br F3 N4 O3 |
| Smiles: | COC(C(C12CC3CC(CC(C3)C2)C1)NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccccc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1049 |
| logD: | 6.1048 |
| logSw: | -5.5823 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.687 |
| InChI Key: | VCMKYVDZWPVPOI-NPLLVSMLSA-N |