N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0178 |
| Compound Name: | N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C27 H34 F N5 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCCCN1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.491 |
| logD: | 3.0573 |
| logSw: | -3.7948 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.145 |
| InChI Key: | NJYMIJVQPSCJCF-UHFFFAOYSA-N |