diethyl 1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-4672 |
| Compound Name: | diethyl 1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 374.39 |
| Molecular Formula: | C18 H22 N4 O5 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(NCc2ccc(C)cc2)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5886 |
| logD: | 1.5886 |
| logSw: | -2.2649 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.953 |
| InChI Key: | PGRJNDQPWBMRRQ-UHFFFAOYSA-N |