diethyl 1-{2-[benzyl(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-{2-[benzyl(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-{2-[benzyl(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-2249 |
| Compound Name: | diethyl 1-{2-[benzyl(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 484.94 |
| Molecular Formula: | C24 H25 Cl N4 O5 |
| Smiles: | CCOC(c1c(C(=O)OCC)n(CC(N(Cc2ccccc2)c2ccc(C)c(c2)[Cl])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1966 |
| logD: | 4.1966 |
| logSw: | -4.4332 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.577 |
| InChI Key: | CBTNNDGWSHQSCU-UHFFFAOYSA-N |