methyl 2-({7-[chloro(difluoro)methyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({7-[chloro(difluoro)methyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl}amino)benzoate
methyl 2-({7-[chloro(difluoro)methyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | 8012-9694 |
| Compound Name: | methyl 2-({7-[chloro(difluoro)methyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl}amino)benzoate |
| Molecular Weight: | 462.86 |
| Molecular Formula: | C20 H13 Cl F2 N4 O3 S |
| Smiles: | COC(c1ccccc1NC(c1cc2nc(cc(C(F)(F)[Cl])n2n1)c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0362 |
| logD: | 4.9838 |
| logSw: | -5.0641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.983 |
| InChI Key: | HKEOBIWSALDRTA-UHFFFAOYSA-N |