dimethyl 2-{[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | Y500-9904 |
| Compound Name: | dimethyl 2-{[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 510.45 |
| Molecular Formula: | C25 H20 F2 N4 O6 |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(c1cnn2c(cc(c3ccc(cc3)OC)nc12)C(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.253 |
| logD: | 3.7496 |
| logSw: | -4.2949 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.453 |
| InChI Key: | OAHCWHSZEOMQBS-UHFFFAOYSA-N |