N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1670 |
| Compound Name: | N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C30 H32 N4 O3 |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NC(C1=CN(C(c2ccccc12)=O)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1246 |
| logD: | 2.1929 |
| logSw: | -3.6521 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.659 |
| InChI Key: | MEDCWBLHFRGTFK-UHFFFAOYSA-N |