4-{[({3-[benzyl(methyl)amino]propyl}amino)oxy]carbonyl}-2-(4-chlorophenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-{[({3-[benzyl(methyl)amino]propyl}amino)oxy]carbonyl}-2-(4-chlorophenyl)isoquinolin-1(2H)-one
4-{[({3-[benzyl(methyl)amino]propyl}amino)oxy]carbonyl}-2-(4-chlorophenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | 3909-9156 |
| Compound Name: | 4-{[({3-[benzyl(methyl)amino]propyl}amino)oxy]carbonyl}-2-(4-chlorophenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C27 H26 Cl N3 O3 |
| Smiles: | CN(CCCNOC(C1=CN(C(c2ccccc12)=O)c1ccc(cc1)[Cl])=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4374 |
| logD: | 1.8418 |
| logSw: | -4.0268 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.729 |
| InChI Key: | ZYSKFOHUCNUVDX-UHFFFAOYSA-N |