6-(azepane-1-sulfonyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one
6-(azepane-1-sulfonyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-2662 |
| Compound Name: | 6-(azepane-1-sulfonyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C26 H33 N3 O6 S |
| Smiles: | C=CCN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0895 |
| logD: | 2.0895 |
| logSw: | -3.0623 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.939 |
| InChI Key: | VHHRNODNCHNSFS-UHFFFAOYSA-N |