6-(azepane-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2678 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 514.04 |
| Molecular Formula: | C26 H28 Cl N3 O4 S |
| Smiles: | C=CCN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2178 |
| logD: | 4.2176 |
| logSw: | -4.5895 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.268 |
| InChI Key: | ITVLZHQCQRQUHW-UHFFFAOYSA-N |