diethyl 3-methyl-5-{[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-{[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-{[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 3209-0045 |
| Compound Name: | diethyl 3-methyl-5-{[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate |
| Molecular Weight: | 550.56 |
| Molecular Formula: | C25 H25 F3 N4 O5 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1cc2NC(CC(C(F)(F)F)n2n1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.1509 |
| logD: | 3.1065 |
| logSw: | -5.0986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.159 |
| InChI Key: | XMRZXKJNASBDSA-UHFFFAOYSA-N |