ethyl 1-{3-[(3,4-difluorophenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[(3,4-difluorophenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-{3-[(3,4-difluorophenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2273 |
| Compound Name: | ethyl 1-{3-[(3,4-difluorophenyl)carbamoyl]phenyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 460.48 |
| Molecular Formula: | C27 H22 F2 N2 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(c2cccc(c2)C(Nc2ccc(c(c2)F)F)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4449 |
| logD: | 6.2569 |
| logSw: | -5.7427 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.506 |
| InChI Key: | XEZBHAUPHQLCNB-UHFFFAOYSA-N |