diethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0101 |
| Compound Name: | diethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 394.81 |
| Molecular Formula: | C17 H19 Cl N4 O5 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(Nc2cccc(c2C)[Cl])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3948 |
| logD: | 2.3947 |
| logSw: | -3.1045 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.934 |
| InChI Key: | QMWZOGYBPGEYGD-UHFFFAOYSA-N |