N-{3-[butyl(phenyl)amino]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-{3-[butyl(phenyl)amino]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-{3-[butyl(phenyl)amino]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0410 |
| Compound Name: | N-{3-[butyl(phenyl)amino]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 448.61 |
| Molecular Formula: | C27 H36 N4 O2 |
| Smiles: | CCCCN(CCCNC(NC1=CN(CC(C)C)C(c2ccccc12)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0346 |
| logD: | 4.995 |
| logSw: | -4.4658 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.145 |
| InChI Key: | YVXKUWQUDAHOHS-UHFFFAOYSA-N |