ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(4-methylbenzamido)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(4-methylbenzamido)-1H-pyrrole-2-carboxylate
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(4-methylbenzamido)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V016-7208 |
| Compound Name: | ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(4-methylbenzamido)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C30 H30 N2 O5 |
| Smiles: | CCOC(c1c(c(cn1Cc1ccccc1)c1ccc(c(c1)OC)OC)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9328 |
| logD: | 4.6084 |
| logSw: | -4.4197 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.935 |
| InChI Key: | SMIJQNKDIGCOOW-UHFFFAOYSA-N |