2-methyl 4-propyl 5-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
2-methyl 4-propyl 5-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
2-methyl 4-propyl 5-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | Y509-0830 |
| Compound Name: | 2-methyl 4-propyl 5-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 528.53 |
| Molecular Formula: | C25 H22 F2 N4 O5 S |
| Smiles: | CCCOC(c1c(C)c(C(=O)OC)sc1NC(c1cnn2c(cc(c3ccccc3)nc12)C(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8312 |
| logD: | 1.7044 |
| logSw: | -4.6077 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.275 |
| InChI Key: | GEQJRLVDIROZHI-UHFFFAOYSA-N |