N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
Compound ID: | C519-1970 |
Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
Molecular Weight: | 539.65 |
Molecular Formula: | C28 H33 N3 O6 S |
Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CC(C)CC(C)C1)(=O)=O)=O)C(NCC1COc2ccccc2O1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.7097 |
logD: | 3.7097 |
logSw: | -4.068 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.229 |
InChI Key: | YYQGLJQDXAUSBR-UHFFFAOYSA-N |