N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0298 |
| Compound Name: | N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C27 H34 N4 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(Nc1ccc(CN2CCC(C)CC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7953 |
| logD: | 3.3456 |
| logSw: | -4.3937 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.471 |
| InChI Key: | RKKPYFPSOQIZFE-UHFFFAOYSA-N |