ethyl 1-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
ethyl 1-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3194 |
| Compound Name: | ethyl 1-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 483.4 |
| Molecular Formula: | C25 H27 Br N2 O3 |
| Smiles: | CCOC(c1cc(c2ccc(C)cc2)n(CCCC(Nc2ccc(c(C)c2)[Br])=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.039 |
| logD: | 6.0378 |
| logSw: | -5.1763 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.331 |
| InChI Key: | FLRRAWFAZQHHIY-UHFFFAOYSA-N |