methyl (adamantan-1-yl){[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}acetate
Chemical Structure Depiction of
methyl (adamantan-1-yl){[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}acetate
methyl (adamantan-1-yl){[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}acetate
Compound characteristics
| Compound ID: | K061-0076 |
| Compound Name: | methyl (adamantan-1-yl){[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}acetate |
| Molecular Weight: | 518.56 |
| Molecular Formula: | C25 H25 F3 N4 O3 S |
| Smiles: | COC(C(C12CC3CC(CC(C3)C2)C1)NC(c1cc2nc(cc(C(F)(F)F)n2n1)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3748 |
| logD: | 5.3748 |
| logSw: | -5.4568 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.388 |
| InChI Key: | CTDIKCPKBXCWRU-BBRFRGFUSA-N |