ethyl 4,5-dimethyl-2-{[rel-(5R,7S)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-{[rel-(5R,7S)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-{[rel-(5R,7S)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7610-2623 |
| Compound Name: | ethyl 4,5-dimethyl-2-{[rel-(5R,7S)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C21 H21 F3 N4 O3 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(c1cc2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7644 |
| logD: | 2.5017 |
| logSw: | -4.5936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.424 |
| InChI Key: | OGEASZXVZWLMSL-IUODEOHRSA-N |