N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea
Chemical Structure Depiction of
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea
Compound characteristics
| Compound ID: | E942-0320 |
| Compound Name: | N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea |
| Molecular Weight: | 461.61 |
| Molecular Formula: | C27 H35 N5 O2 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCCCN1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3404 |
| logD: | 2.9067 |
| logSw: | -3.8028 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.145 |
| InChI Key: | XSHIMNZQQAMGKD-UHFFFAOYSA-N |