ethyl 2-{2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamido}benzoate
ethyl 2-{2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C265-0796 |
| Compound Name: | ethyl 2-{2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C26 H29 N3 O6 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C=C(c2ccccc2C1=O)S(N1CCC(C)CC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2183 |
| logD: | 3.2082 |
| logSw: | -3.5759 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.116 |
| InChI Key: | PZLLDWFKTLJBSC-UHFFFAOYSA-N |