dimethyl 5-{[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-{[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 3209-1076 |
| Compound Name: | dimethyl 5-{[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 591.39 |
| Molecular Formula: | C23 H19 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: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.7245 |
| logD: | 3.6801 |
| logSw: | -6.3532 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93 |
| InChI Key: | PVSMAESBGKHUDL-UHFFFAOYSA-N |