6,7-diethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
6,7-diethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
6,7-diethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C066-1663 |
| Compound Name: | 6,7-diethoxy-2-(2-methylpropyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 522.6 |
| Molecular Formula: | C28 H34 N4 O6 |
| Smiles: | CCOc1cc2C(=CN(CC(C)C)C(c2cc1OCC)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8989 |
| logD: | 3.8989 |
| logSw: | -3.9262 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.182 |
| InChI Key: | YIJSBZREHLTFSK-UHFFFAOYSA-N |