N-{[4-(dimethylamino)phenyl]methyl}-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
N-{[4-(dimethylamino)phenyl]methyl}-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Compound characteristics
Compound ID: | L162-0714 |
Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide |
Molecular Weight: | 465.6 |
Molecular Formula: | C29 H31 N5 O |
Smiles: | CN(C)c1ccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccccc2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 5.0199 |
logD: | 5.0045 |
logSw: | -4.8582 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.879 |
InChI Key: | ODWXLDXPJNZCIV-UHFFFAOYSA-N |