methyl 2-{[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
methyl 2-{[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | Y501-8111 |
| Compound Name: | methyl 2-{[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 396.3 |
| Molecular Formula: | C17 H12 F4 N4 O3 |
| Smiles: | COC(c1ccccc1NC(c1cc2nc(cc(C(F)F)n2n1)C(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5794 |
| logD: | 2.5271 |
| logSw: | -3.2707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.236 |
| InChI Key: | REHHFEQLFXOYCM-UHFFFAOYSA-N |