methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzoate
methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 7213-0651 |
| Compound Name: | methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 422.39 |
| Molecular Formula: | C22 H16 F2 N4 O3 |
| Smiles: | COC(c1ccccc1NC(c1cnn2c(cc(c3ccccc3)nc12)C(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0753 |
| logD: | 3.8754 |
| logSw: | -4.2369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.735 |
| InChI Key: | RJNHKKKNXDABTP-UHFFFAOYSA-N |