ethyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C722-0650 |
| Compound Name: | ethyl 4-[(3-chloro-4-fluorophenyl)carbamoyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 366.82 |
| Molecular Formula: | C18 H20 Cl F N2 O3 |
| Smiles: | CCn1c(C)c(C(Nc2ccc(c(c2)[Cl])F)=O)c(C)c1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.2809 |
| logD: | 3.6918 |
| logSw: | -4.7888 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.806 |
| InChI Key: | BZXATWZMWNFLAA-UHFFFAOYSA-N |