ethyl 1-[4-(3,4-dimethoxyanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(3,4-dimethoxyanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[4-(3,4-dimethoxyanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3179 |
| Compound Name: | ethyl 1-[4-(3,4-dimethoxyanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C26 H30 N2 O5 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCCC(Nc2ccc(c(c2)OC)OC)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1537 |
| logD: | 4.1531 |
| logSw: | -4.1524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.06 |
| InChI Key: | NYZXEYFHKBFSDA-UHFFFAOYSA-N |