ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(3-methylbenzamido)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(3-methylbenzamido)-1H-pyrrole-2-carboxylate
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(3-methylbenzamido)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V012-0557 |
| Compound Name: | ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(3-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(c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8805 |
| logD: | 4.2738 |
| logSw: | -4.4287 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.935 |
| InChI Key: | WRFKMNORZZBNCS-UHFFFAOYSA-N |