6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Compound characteristics
Compound ID: | C168-0469 |
Compound Name: | 6,7-dimethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one |
Molecular Weight: | 494.55 |
Molecular Formula: | C26 H30 N4 O6 |
Smiles: | CC(C)CN1C=C(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c2cc(c(cc2C1=O)OC)OC |
Stereo: | ACHIRAL |
logP: | 3.6076 |
logD: | 3.6076 |
logSw: | -3.8144 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 85.023 |
InChI Key: | MQFNFSZCAIZJMR-UHFFFAOYSA-N |