N-[3-(4-ethylpiperazin-1-yl)propyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-[3-(4-ethylpiperazin-1-yl)propyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-[3-(4-ethylpiperazin-1-yl)propyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
Compound ID: | E942-0100 |
Compound Name: | N-[3-(4-ethylpiperazin-1-yl)propyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
Molecular Weight: | 413.56 |
Molecular Formula: | C23 H35 N5 O2 |
Smiles: | CCN1CCN(CCCNC(NC2=CN(CC(C)C)C(c3ccccc23)=O)=O)CC1 |
Stereo: | ACHIRAL |
logP: | 1.8679 |
logD: | 0.9197 |
logSw: | -2.6551 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.421 |
InChI Key: | WKZCYDLTCVQJSD-UHFFFAOYSA-N |