ethyl 5-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F862-0042 |
| Compound Name: | ethyl 5-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C25 H31 N3 O6 |
| Smiles: | CCOC(c1c(C)c(C(N2CCC(CC2)CC(NCc2ccc3c(c2)OCO3)=O)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8652 |
| logD: | 2.8652 |
| logSw: | -3.1968 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.937 |
| InChI Key: | FRAINSXHPPGPRJ-UHFFFAOYSA-N |