ethyl 1-[4-(3-chloro-4-methoxyanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(3-chloro-4-methoxyanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[4-(3-chloro-4-methoxyanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | K906-3138 |
Compound Name: | ethyl 1-[4-(3-chloro-4-methoxyanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
Molecular Weight: | 454.95 |
Molecular Formula: | C25 H27 Cl N2 O4 |
Smiles: | CCOC(c1cc(c2ccccc2)n(CCCC(Nc2ccc(c(c2)[Cl])OC)=O)c1C)=O |
Stereo: | ACHIRAL |
logP: | 5.1294 |
logD: | 5.1248 |
logSw: | -5.4348 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.43 |
InChI Key: | ADBHZGWVRQLLBE-UHFFFAOYSA-N |