N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-benzylpiperidin-4-yl)-N'-[(4-methylphenyl)methyl]urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-benzylpiperidin-4-yl)-N'-[(4-methylphenyl)methyl]urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-benzylpiperidin-4-yl)-N'-[(4-methylphenyl)methyl]urea
Compound characteristics
| Compound ID: | E641-1300 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-benzylpiperidin-4-yl)-N'-[(4-methylphenyl)methyl]urea |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C29 H33 N3 O3 |
| Smiles: | Cc1ccc(CNC(N(Cc2ccc3c(c2)OCO3)C2CCN(CC2)Cc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1283 |
| logD: | 4.2811 |
| logSw: | -4.9948 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.221 |
| InChI Key: | WWQQHXHNBJGWSJ-UHFFFAOYSA-N |