N-(2-methoxy-5-nitrophenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
N-(2-methoxy-5-nitrophenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | C265-0788 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamide |
| Molecular Weight: | 514.56 |
| Molecular Formula: | C24 H26 N4 O7 S |
| Smiles: | CC1CCN(CC1)S(C1=CN(CC(Nc2cc(ccc2OC)[N+]([O-])=O)=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5416 |
| logD: | 2.5271 |
| logSw: | -3.1951 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.375 |
| InChI Key: | IQQOMKYUZLLMQC-UHFFFAOYSA-N |