N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0344 |
| Compound Name: | N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C28 H36 N4 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCC1CCN(CC1)Cc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5112 |
| logD: | 1.7902 |
| logSw: | -4.2642 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.793 |
| InChI Key: | XQMAYJRQWFLGKQ-UHFFFAOYSA-N |