ethyl 1-{3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-{3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2008 |
| Compound Name: | ethyl 1-{3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 478.9 |
| Molecular Formula: | C24 H22 Cl F3 N2 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCC(Nc2ccc(c(c2)C(F)(F)F)[Cl])=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4797 |
| logD: | 6.3779 |
| logSw: | -6.1568 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.799 |
| InChI Key: | GQVCRLSDKWAWBQ-UHFFFAOYSA-N |