2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(5-chloro-2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(5-chloro-2-methoxyphenyl)acetamide
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(5-chloro-2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y206-5024 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(5-chloro-2-methoxyphenyl)acetamide |
| Molecular Weight: | 417.89 |
| Molecular Formula: | C21 H24 Cl N3 O4 |
| Smiles: | COc1ccc(cc1NC(CN1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1292 |
| logD: | 2.2976 |
| logSw: | -3.4383 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.709 |
| InChI Key: | RXIMVKCMLKFBQL-UHFFFAOYSA-N |