N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-6-(4-methylpiperidine-1-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-6-(4-methylpiperidine-1-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-6-(4-methylpiperidine-1-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-0784 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-6-(4-methylpiperidine-1-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C25 H27 N3 O6 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)C(C(=CN2C)C(NCc1ccc2c(c1)OCO2)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6477 |
| logD: | 2.6477 |
| logSw: | -3.4272 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.789 |
| InChI Key: | JBLHRJJWNPKLDJ-UHFFFAOYSA-N |