N-{3-[benzyl(butyl)amino]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-{3-[benzyl(butyl)amino]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-{3-[benzyl(butyl)amino]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | C066-4804 |
| Compound Name: | N-{3-[benzyl(butyl)amino]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 462.64 |
| Molecular Formula: | C28 H38 N4 O2 |
| Smiles: | CCCCN(CCCNC(NC1=CN(CC(C)C)C(c2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7274 |
| logD: | 3.323 |
| logSw: | -4.2611 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.842 |
| InChI Key: | WGENQBIOWKAEOK-UHFFFAOYSA-N |