ethyl 2-methyl-1-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2-methyl-1-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 2-methyl-1-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3188 |
| Compound Name: | ethyl 2-methyl-1-{3-[3-(methylsulfanyl)anilino]-3-oxopropyl}-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C24 H26 N2 O3 S |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCC(Nc2cccc(c2)SC)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3334 |
| logD: | 5.3334 |
| logSw: | -5.3032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.799 |
| InChI Key: | IUIPXMGQEHAKTB-UHFFFAOYSA-N |