N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-benzylpiperidin-4-yl)-N'-(3-chloro-4-methylphenyl)urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-benzylpiperidin-4-yl)-N'-(3-chloro-4-methylphenyl)urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-benzylpiperidin-4-yl)-N'-(3-chloro-4-methylphenyl)urea
Compound characteristics
| Compound ID: | E641-1272 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-benzylpiperidin-4-yl)-N'-(3-chloro-4-methylphenyl)urea |
| Molecular Weight: | 492.02 |
| Molecular Formula: | C28 H30 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1[Cl])NC(N(Cc1ccc2c(c1)OCO2)C1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3326 |
| logD: | 5.4854 |
| logSw: | -6.1024 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.899 |
| InChI Key: | SMSWRAIFTQOCCC-UHFFFAOYSA-N |