ethyl 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate
ethyl 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8016-6660 |
| Compound Name: | ethyl 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C23 H27 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4778 |
| logD: | 2.6461 |
| logSw: | -3.5394 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.53 |
| InChI Key: | XRYSFICYLRQLEJ-UHFFFAOYSA-N |