6-(azepane-1-sulfonyl)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-ethylquinolin-4(1H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-ethylquinolin-4(1H)-one
6-(azepane-1-sulfonyl)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-ethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-1595 |
| Compound Name: | 6-(azepane-1-sulfonyl)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-ethylquinolin-4(1H)-one |
| Molecular Weight: | 571.14 |
| Molecular Formula: | C29 H35 Cl N4 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(N1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7048 |
| logD: | 4.7048 |
| logSw: | -4.7585 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.208 |
| InChI Key: | ANTHNLIEGRIJTO-UHFFFAOYSA-N |