N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0299 |
| Compound Name: | N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 461.61 |
| Molecular Formula: | C27 H35 N5 O2 |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NC(NC1=CN(CC(C)C)C(c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5558 |
| logD: | 2.6241 |
| logSw: | -3.6994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.007 |
| InChI Key: | WUBFUSGBDIMZTF-UHFFFAOYSA-N |