N-{2-[benzyl(propan-2-yl)amino]ethyl}-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(propan-2-yl)amino]ethyl}-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-{2-[benzyl(propan-2-yl)amino]ethyl}-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-0942 |
| Compound Name: | N-{2-[benzyl(propan-2-yl)amino]ethyl}-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 552.74 |
| Molecular Formula: | C30 H40 N4 O4 S |
| Smiles: | CC1CC(C)CN(C1)S(c1ccc2c(c1)C(C(=CN2C)C(NCCN(Cc1ccccc1)C(C)C)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7688 |
| logD: | 2.4914 |
| logSw: | -4.033 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.979 |
| InChI Key: | KIEIMOLSXHLMNO-UHFFFAOYSA-N |