diethyl 1-[2-(4-acetylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[2-(4-acetylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[2-(4-acetylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0109 |
| Compound Name: | diethyl 1-[2-(4-acetylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C18 H20 N4 O6 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(Nc2ccc(cc2)C(C)=O)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1296 |
| logD: | 1.1294 |
| logSw: | -2.2012 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.458 |
| InChI Key: | KESIAAKUBOCFCV-UHFFFAOYSA-N |