ethyl 5-{[N-benzyl-3-(4-methoxyphenyl)propanamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[N-benzyl-3-(4-methoxyphenyl)propanamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-{[N-benzyl-3-(4-methoxyphenyl)propanamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F347-0105 |
| Compound Name: | ethyl 5-{[N-benzyl-3-(4-methoxyphenyl)propanamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C27 H32 N2 O4 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccccc2)C(CCc2ccc(cc2)OC)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5632 |
| logD: | 4.5632 |
| logSw: | -4.4807 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.425 |
| InChI Key: | MJMCLEAZKYGRCJ-UHFFFAOYSA-N |