ethyl 1-[4-(2-bromo-4-methylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(2-bromo-4-methylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[4-(2-bromo-4-methylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3173 |
| Compound Name: | ethyl 1-[4-(2-bromo-4-methylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 483.4 |
| Molecular Formula: | C25 H27 Br N2 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCCC(Nc2ccc(C)cc2[Br])=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4002 |
| logD: | 5.3998 |
| logSw: | -5.2729 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.101 |
| InChI Key: | LULFBPPWNGWCGG-UHFFFAOYSA-N |