3-(azepane-1-carbonyl)-6-(azepane-1-sulfonyl)-1-methylquinolin-4(1H)-one
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-6-(azepane-1-sulfonyl)-1-methylquinolin-4(1H)-one
3-(azepane-1-carbonyl)-6-(azepane-1-sulfonyl)-1-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-0531 |
| Compound Name: | 3-(azepane-1-carbonyl)-6-(azepane-1-sulfonyl)-1-methylquinolin-4(1H)-one |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Smiles: | CN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6563 |
| logD: | 2.6563 |
| logSw: | -3.345 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.571 |
| InChI Key: | VSOREGDNEKLLLW-UHFFFAOYSA-N |