ethyl 1-[4-(2-chloro-4-methylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(2-chloro-4-methylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[4-(2-chloro-4-methylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3139 |
| Compound Name: | ethyl 1-[4-(2-chloro-4-methylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 438.95 |
| Molecular Formula: | C25 H27 Cl N2 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCCC(Nc2ccc(C)cc2[Cl])=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3426 |
| logD: | 5.3397 |
| logSw: | -5.7642 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.101 |
| InChI Key: | FQNRSNYYGSEQLR-UHFFFAOYSA-N |