ethyl 1-{3-[(2,4-dimethylphenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[(2,4-dimethylphenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-{3-[(2,4-dimethylphenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-1970 |
| Compound Name: | ethyl 1-{3-[(2,4-dimethylphenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C29 H28 N2 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(c2cccc(c2)C(Nc2ccc(C)cc2C)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7691 |
| logD: | 6.769 |
| logSw: | -5.6284 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.808 |
| InChI Key: | XKIFUMCFEAFHJS-UHFFFAOYSA-N |