6-(azepane-1-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-1652 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 525.62 |
| Molecular Formula: | C27 H31 N3 O6 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(NCC1COc2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2464 |
| logD: | 3.2464 |
| logSw: | -3.8293 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.693 |
| InChI Key: | WCBNUYSGHGPDFX-IBGZPJMESA-N |