ethyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-1546 |
| Compound Name: | ethyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 455.35 |
| Molecular Formula: | C23 H23 Br N2 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CC(Nc2ccc(c(C)c2)[Br])=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1414 |
| logD: | 6.1413 |
| logSw: | -5.464 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.821 |
| InChI Key: | XXLNSZNSVAGVQN-UHFFFAOYSA-N |