ethyl 1-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3466 |
| Compound Name: | ethyl 1-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C26 H28 N2 O5 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCCC(NCc2ccc3c(c2)OCO3)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2322 |
| logD: | 4.2322 |
| logSw: | -4.1151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.237 |
| InChI Key: | YIEIULZHJNBXRD-UHFFFAOYSA-N |