diethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0095 |
| Compound Name: | diethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 410.81 |
| Molecular Formula: | C17 H19 Cl N4 O6 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(Nc2ccc(c(c2)[Cl])OC)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0981 |
| logD: | 2.0979 |
| logSw: | -3.0989 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.262 |
| InChI Key: | KDDNOUCMRLTSDP-UHFFFAOYSA-N |