methyl 2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
methyl 2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K061-0869 |
| Compound Name: | methyl 2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 553.72 |
| Molecular Formula: | C22 H13 Br Cl F3 N4 O3 |
| Smiles: | COC(c1ccccc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)[Br])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3409 |
| logD: | 6.0159 |
| logSw: | -6.3382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.282 |
| InChI Key: | DGOHPYNMDCHHKX-UHFFFAOYSA-N |