4-(4-benzylpiperazine-1-carbonyl)-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-benzylpiperazine-1-carbonyl)-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
4-(4-benzylpiperazine-1-carbonyl)-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-2110 |
| Compound Name: | 4-(4-benzylpiperazine-1-carbonyl)-2-(3-methoxyphenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C28 H27 N3 O3 |
| Smiles: | COc1cccc(c1)N1C=C(C(N2CCN(CC2)Cc2ccccc2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.2479 |
| logD: | 3.2184 |
| logSw: | -3.5773 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.487 |
| InChI Key: | NBLSSGSAJDIVBX-UHFFFAOYSA-N |