ethyl 1-benzyl-3-butanamido-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1-benzyl-3-butanamido-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
ethyl 1-benzyl-3-butanamido-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V011-9890 |
| Compound Name: | ethyl 1-benzyl-3-butanamido-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C26 H30 N2 O5 |
| Smiles: | CCCC(Nc1c(cn(Cc2ccccc2)c1C(=O)OCC)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.002 |
| logD: | 3.9838 |
| logSw: | -4.1303 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.993 |
| InChI Key: | QLRFAXWLMDYYAW-UHFFFAOYSA-N |