diethyl 5-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K061-0903 |
| Compound Name: | diethyl 5-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 659.87 |
| Molecular Formula: | C25 H19 Br Cl F3 N4 O5 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)[Br])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0048 |
| logD: | 3.5981 |
| logSw: | -6.7691 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.107 |
| InChI Key: | LXOVGSJIDNCMIT-UHFFFAOYSA-N |