methyl 4-(2-{4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl}acetamido)benzoate
methyl 4-(2-{4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | K940-1918 |
| Compound Name: | methyl 4-(2-{4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl}acetamido)benzoate |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C24 H30 N4 O5 |
| Smiles: | CCOc1ccc(cc1)NC(CN1CCN(CC1)CC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5268 |
| logD: | 3.5262 |
| logSw: | -3.3372 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.108 |
| InChI Key: | KAVJVQFMBYPSBT-UHFFFAOYSA-N |