ethyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | C722-0176 |
Compound Name: | ethyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 338.76 |
Molecular Formula: | C16 H16 Cl F N2 O3 |
Smiles: | [H]n1c(C)c(C(Nc2ccc(c(c2)[Cl])F)=O)c(C)c1C(=O)OCC |
Stereo: | ACHIRAL |
logP: | 3.8458 |
logD: | 3.1149 |
logSw: | -4.5047 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.065 |
InChI Key: | LIBQZAHWKNPDEC-UHFFFAOYSA-N |