ethyl 2,4-dimethyl-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2,4-dimethyl-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 2,4-dimethyl-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | C721-0134 |
| Compound Name: | ethyl 2,4-dimethyl-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C24 H26 N2 O3 S |
| Smiles: | CCOC(c1c(C)c(c2ccccc2)n(CC(Nc2cccc(c2)SC)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0546 |
| logD: | 5.0546 |
| logSw: | -4.7025 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.597 |
| InChI Key: | HSIYTLSCKGAQID-UHFFFAOYSA-N |