dimethyl 5-{[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-{[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K061-0996 |
| Compound Name: | dimethyl 5-{[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 587.36 |
| Molecular Formula: | C23 H15 Cl2 F3 N4 O5 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2cc3nc(cc(C(F)(F)F)n3n2)c2ccc(c(c2)[Cl])[Cl])=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.9542 |
| logD: | 3.4857 |
| logSw: | -6.5278 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.631 |
| InChI Key: | UHUQYSZRVJWECG-UHFFFAOYSA-N |