dimethyl 2-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | Y500-7843 |
| Compound Name: | dimethyl 2-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 419.34 |
| Molecular Formula: | C18 H15 F2 N5 O5 |
| Smiles: | Cc1cc(C(F)F)n2c(n1)nc(C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 1.871 |
| logD: | 1.6159 |
| logSw: | -2.5347 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.6 |
| InChI Key: | ORIQSZOZQZHTFR-UHFFFAOYSA-N |