dimethyl 1-{2-[benzyl(4-bromophenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-[benzyl(4-bromophenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-{2-[benzyl(4-bromophenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C200-2241 |
| Compound Name: | dimethyl 1-{2-[benzyl(4-bromophenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 487.31 |
| Molecular Formula: | C21 H19 Br N4 O5 |
| Smiles: | COC(c1c(C(=O)OC)n(CC(N(Cc2ccccc2)c2ccc(cc2)[Br])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1008 |
| logD: | 3.1008 |
| logSw: | -3.1031 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.418 |
| InChI Key: | HNEZFHDHXMJVFH-UHFFFAOYSA-N |