6-(azepane-1-sulfonyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-ethylquinolin-4(1H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-ethylquinolin-4(1H)-one
6-(azepane-1-sulfonyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-ethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-1606 |
| Compound Name: | 6-(azepane-1-sulfonyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-ethylquinolin-4(1H)-one |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C25 H33 N3 O6 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8494 |
| logD: | 1.8494 |
| logSw: | -2.7788 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.686 |
| InChI Key: | IBNWNMXPUBSBFO-UHFFFAOYSA-N |