diethyl 5-{[5-(2H-1,3-benzodioxol-5-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-{[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 3209-0941 |
| Compound Name: | diethyl 5-{[5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 594.57 |
| Molecular Formula: | C26 H25 F3 N4 O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1cc2NC(CC(C(F)(F)F)n2n1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0199 |
| logD: | 2.9756 |
| logSw: | -4.8372 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.275 |
| InChI Key: | VPYJZCCFYRZEFS-UHFFFAOYSA-N |