N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0385 |
| Compound Name: | N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C27 H33 F N4 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCC1CCN(CC1)Cc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.21 |
| logD: | 2.2867 |
| logSw: | -4.2594 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.793 |
| InChI Key: | XRAKBSGNUREHMR-UHFFFAOYSA-N |