methyl 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate
methyl 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8016-6658 |
| Compound Name: | methyl 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetamido)benzoate |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C22 H25 N3 O5 |
| Smiles: | COC(c1ccccc1NC(CN1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6009 |
| logD: | 1.7693 |
| logSw: | -3.135 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.252 |
| InChI Key: | KXEUVQPFLODBBC-UHFFFAOYSA-N |