dimethyl 1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0013 |
| Compound Name: | dimethyl 1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 397.18 |
| Molecular Formula: | C14 H13 Br N4 O5 |
| Smiles: | COC(c1c(C(=O)OC)n(CC(Nc2ccc(cc2)[Br])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7214 |
| logD: | 1.7214 |
| logSw: | -2.344 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.472 |
| InChI Key: | PXXHPEWDUCXCJX-UHFFFAOYSA-N |