ethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-1524 |
| Compound Name: | ethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 410.9 |
| Molecular Formula: | C23 H23 Cl N2 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CC(Nc2ccc(C)c(c2)[Cl])=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3571 |
| logD: | 6.3566 |
| logSw: | -6.0602 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.821 |
| InChI Key: | DULXQVSPVIJRLK-UHFFFAOYSA-N |