ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(3-methylbutanamido)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(3-methylbutanamido)-1H-pyrrole-2-carboxylate
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(3-methylbutanamido)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V012-9437 |
| Compound Name: | ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-(3-methylbutanamido)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C27 H32 N2 O5 |
| Smiles: | CCOC(c1c(c(cn1Cc1ccccc1)c1ccc(c(c1)OC)OC)NC(CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.445 |
| logD: | 4.4167 |
| logSw: | -4.1727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.993 |
| InChI Key: | GALQQRAJFAKKQQ-UHFFFAOYSA-N |