ethyl 5-{[N-benzyl(3-chloro-4-fluorophenyl)carbamamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[N-benzyl(3-chloro-4-fluorophenyl)carbamamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-{[N-benzyl(3-chloro-4-fluorophenyl)carbamamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F346-0091 |
| Compound Name: | ethyl 5-{[N-benzyl(3-chloro-4-fluorophenyl)carbamamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 457.93 |
| Molecular Formula: | C24 H25 Cl F N3 O3 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccccc2)C(Nc2ccc(c(c2)[Cl])F)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0895 |
| logD: | 5.0893 |
| logSw: | -5.6628 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.229 |
| InChI Key: | XWNHVKRHUCUZMG-UHFFFAOYSA-N |