N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0156 |
| Compound Name: | N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 477.61 |
| Molecular Formula: | C27 H35 N5 O3 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCCN1CCN(CC1)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3211 |
| logD: | 2.4329 |
| logSw: | -3.7724 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.688 |
| InChI Key: | XNTSDCKGEVQOFE-UHFFFAOYSA-N |