ethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | C722-0671 |
Compound Name: | ethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 416.83 |
Molecular Formula: | C19 H20 Cl F3 N2 O3 |
Smiles: | CCn1c(C)c(C(Nc2cc(ccc2[Cl])C(F)(F)F)=O)c(C)c1C(=O)OCC |
Stereo: | ACHIRAL |
logP: | 4.9739 |
logD: | 3.8642 |
logSw: | -5.3917 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.109 |
InChI Key: | VHJGJNQVAMTOPO-UHFFFAOYSA-N |