ethyl 5-acetyl-2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0905 |
| Compound Name: | ethyl 5-acetyl-2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 629.84 |
| Molecular Formula: | C24 H17 Br Cl F3 N4 O4 S |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)[Br])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4018 |
| logD: | 2.2652 |
| logSw: | -6.6416 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.18 |
| InChI Key: | IGTHKWSNVXPPCV-UHFFFAOYSA-N |