dimethyl 1-{2-[(4-fluorophenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-[(4-fluorophenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-{2-[(4-fluorophenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-1939 |
| Compound Name: | dimethyl 1-{2-[(4-fluorophenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 379.3 |
| Molecular Formula: | C15 H14 F N5 O6 |
| Smiles: | COC(c1c(C(=O)OC)n(CC(NC(Nc2ccc(cc2)F)=O)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8149 |
| logD: | 0.7947 |
| logSw: | -2.0908 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.862 |
| InChI Key: | RRINXGCMCMQGNU-UHFFFAOYSA-N |