6-(azepane-1-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2708 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 537.63 |
| Molecular Formula: | C28 H31 N3 O6 S |
| Smiles: | C=CCN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(NCC1COc2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4865 |
| logD: | 3.4865 |
| logSw: | -4.0109 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.947 |
| InChI Key: | JSXSUXQSBCJXKQ-FQEVSTJZSA-N |