N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0411 |
| Compound Name: | N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 481.04 |
| Molecular Formula: | C27 H33 Cl N4 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCC1CCN(CC1)Cc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7258 |
| logD: | 3.0895 |
| logSw: | -4.7265 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.793 |
| InChI Key: | TTWUBZLMKKPUIH-UHFFFAOYSA-N |