ethyl 4-[(4-chloro-2-fluorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[(4-chloro-2-fluorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[(4-chloro-2-fluorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E137-0173 |
| Compound Name: | ethyl 4-[(4-chloro-2-fluorophenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 338.76 |
| Molecular Formula: | C16 H16 Cl F N2 O3 |
| Smiles: | CCOC(c1c(C)c(C(Nc2ccc(cc2F)[Cl])=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9357 |
| logD: | 3.1999 |
| logSw: | -4.7024 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.367 |
| InChI Key: | OZXIDASKSDVILQ-UHFFFAOYSA-N |