ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | C721-0085 |
| Compound Name: | ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C25 H26 N2 O5 |
| Smiles: | CCOC(c1c(C)c(c2ccccc2)n(CC(NCc2ccc3c(c2)OCO3)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0845 |
| logD: | 4.0845 |
| logSw: | -4.2593 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.034 |
| InChI Key: | HMCWYHLLLPXAOB-UHFFFAOYSA-N |