ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2851 |
| Compound Name: | ethyl 1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 438.45 |
| Molecular Formula: | C24 H23 F N2 O5 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)F)n(CC(NCc2ccc3c(c2)OCO3)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5918 |
| logD: | 4.5918 |
| logSw: | -4.3533 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.258 |
| InChI Key: | KUCUNGMEXVYEBN-UHFFFAOYSA-N |