diethyl 5-{[rel-(5R,7S)-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{[rel-(5R,7S)-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[rel-(5R,7S)-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 3209-0649 |
| Compound Name: | diethyl 5-{[rel-(5R,7S)-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 591.03 |
| Molecular Formula: | C23 H22 Cl F3 N4 O5 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1cccs1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2069 |
| logD: | 2.2266 |
| logSw: | -5.8835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.472 |
| InChI Key: | UQGXJZXTNSJLMB-DGCLKSJQSA-N |