N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-bromophenyl)-N-(1-ethylpiperidin-4-yl)urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-bromophenyl)-N-(1-ethylpiperidin-4-yl)urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-bromophenyl)-N-(1-ethylpiperidin-4-yl)urea
Compound characteristics
| Compound ID: | E641-1469 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-bromophenyl)-N-(1-ethylpiperidin-4-yl)urea |
| Molecular Weight: | 460.37 |
| Molecular Formula: | C22 H26 Br N3 O3 |
| Smiles: | CCN1CCC(CC1)N(Cc1ccc2c(c1)OCO2)C(Nc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4477 |
| logD: | 2.5206 |
| logSw: | -4.0906 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.198 |
| InChI Key: | RTQWDLHIAFZRAQ-UHFFFAOYSA-N |