N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
Chemical Structure Depiction of
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
Compound characteristics
| Compound ID: | E679-0583 |
| Compound Name: | N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea |
| Molecular Weight: | 468 |
| Molecular Formula: | C25 H30 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1N1CCN(CCCNC(NC2=CN(C)C(c3ccccc23)=O)=O)CC1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0636 |
| logD: | 2.0666 |
| logSw: | -3.6508 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.559 |
| InChI Key: | MOONAUXSRWHXAD-UHFFFAOYSA-N |