ethyl 2-methyl-1-(3-{[3-(methylsulfanyl)phenyl]carbamoyl}phenyl)-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2-methyl-1-(3-{[3-(methylsulfanyl)phenyl]carbamoyl}phenyl)-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 2-methyl-1-(3-{[3-(methylsulfanyl)phenyl]carbamoyl}phenyl)-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-1968 |
| Compound Name: | ethyl 2-methyl-1-(3-{[3-(methylsulfanyl)phenyl]carbamoyl}phenyl)-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C28 H26 N2 O3 S |
| Smiles: | CCOC(c1cc(c2ccccc2)n(c2cccc(c2)C(Nc2cccc(c2)SC)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5492 |
| logD: | 6.5491 |
| logSw: | -5.7024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.506 |
| InChI Key: | VFVALBGUBKWERE-UHFFFAOYSA-N |