ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2,2,2-trichloroacetamido)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2,2,2-trichloroacetamido)-1H-pyrrole-2-carboxylate
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2,2,2-trichloroacetamido)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V012-0588 |
| Compound Name: | ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2,2,2-trichloroacetamido)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 525.82 |
| Molecular Formula: | C24 H23 Cl3 N2 O5 |
| Smiles: | CCOC(c1c(c(cn1Cc1ccccc1)c1ccc(c(c1)OC)OC)NC(C([Cl])([Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6425 |
| logD: | 1.5665 |
| logSw: | -4.8311 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.207 |
| InChI Key: | YEJITEVECWZRPS-UHFFFAOYSA-N |