methyl 5-[4-(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-[4-(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
methyl 5-[4-(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F862-0288 |
| Compound Name: | methyl 5-[4-(2-{[(4-ethoxyphenyl)methyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 455.55 |
| Molecular Formula: | C25 H33 N3 O5 |
| Smiles: | CCOc1ccc(CNC(CC2CCN(CC2)C(c2c(C)c(C(=O)OC)c(C)[nH]2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9388 |
| logD: | 2.9388 |
| logSw: | -3.1655 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.366 |
| InChI Key: | CNIILFBHMIJVQG-UHFFFAOYSA-N |