dimethyl 3-amino-1-(3-bromophenyl)-1H-pyrrole-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 3-amino-1-(3-bromophenyl)-1H-pyrrole-2,4-dicarboxylate
dimethyl 3-amino-1-(3-bromophenyl)-1H-pyrrole-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 8020-5429 |
| Compound Name: | dimethyl 3-amino-1-(3-bromophenyl)-1H-pyrrole-2,4-dicarboxylate |
| Molecular Weight: | 353.17 |
| Molecular Formula: | C14 H13 Br N2 O4 |
| Smiles: | COC(c1cn(c2cccc(c2)[Br])c(C(=O)OC)c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7831 |
| logD: | 2.7831 |
| logSw: | -3.1614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.69 |
| InChI Key: | PLVQQTFMXLGJOR-UHFFFAOYSA-N |