N-[3-(azepan-1-yl)propyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-[3-(azepan-1-yl)propyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
Compound ID: | C066-4814 |
Compound Name: | N-[3-(azepan-1-yl)propyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
Molecular Weight: | 398.55 |
Molecular Formula: | C23 H34 N4 O2 |
Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCCCN1CCCCCC1)=O |
Stereo: | ACHIRAL |
logP: | 3.2127 |
logD: | 0.805 |
logSw: | -3.6509 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.215 |
InChI Key: | DCKTWLRLSIYTQO-UHFFFAOYSA-N |