ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2,3,6-trifluorobenzamido)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2,3,6-trifluorobenzamido)-1H-pyrrole-2-carboxylate
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2,3,6-trifluorobenzamido)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V012-3788 |
| Compound Name: | ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(2,3,6-trifluorobenzamido)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 538.52 |
| Molecular Formula: | C29 H25 F3 N2 O5 |
| Smiles: | CCOC(c1c(c(cn1Cc1ccccc1)c1ccc(c(c1)OC)OC)NC(c1c(ccc(c1F)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1158 |
| logD: | 2.3923 |
| logSw: | -4.9127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.935 |
| InChI Key: | NFHXUOYVSVVRMK-UHFFFAOYSA-N |