ethyl 1-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-1695 |
| Compound Name: | ethyl 1-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C26 H28 N2 O6 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)OC)n(CCC(NCc2ccc3c(c2)OCO3)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5733 |
| logD: | 4.5733 |
| logSw: | -4.2932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.781 |
| InChI Key: | JBMJRIFBYXOKCY-UHFFFAOYSA-N |