methyl 2-{2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamido}benzoate
methyl 2-{2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamido}benzoate
Compound characteristics
Compound ID: | C265-0760 |
Compound Name: | methyl 2-{2-[4-(4-methylpiperidine-1-sulfonyl)-1-oxoisoquinolin-2(1H)-yl]acetamido}benzoate |
Molecular Weight: | 497.57 |
Molecular Formula: | C25 H27 N3 O6 S |
Smiles: | CC1CCN(CC1)S(C1=CN(CC(Nc2ccccc2C(=O)OC)=O)C(c2ccccc12)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.6746 |
logD: | 2.6646 |
logSw: | -3.316 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 91.537 |
InChI Key: | HYIKBVIPPKLZIM-UHFFFAOYSA-N |