N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-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-ethyl-6-(4-methylpiperidine-1-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-6-(4-methylpiperidine-1-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-1840 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-6-(4-methylpiperidine-1-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C26 H29 N3 O6 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCC(C)CC1)(=O)=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2742 |
| logD: | 3.2742 |
| logSw: | -3.8847 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.799 |
| InChI Key: | DYJAKFBCPJYNRE-UHFFFAOYSA-N |