N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1556 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 510.64 |
| Molecular Formula: | C31 H34 N4 O3 |
| Smiles: | COc1ccc(cc1)N1C=C(C(NCCCN2CCN(CC2)Cc2ccccc2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7009 |
| logD: | 1.93 |
| logSw: | -3.3432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.076 |
| InChI Key: | AALBITZLPSMOGR-UHFFFAOYSA-N |