3-(azepane-1-carbonyl)-1-ethyl-6-(morpholine-4-sulfonyl)quinolin-4(1H)-one
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-ethyl-6-(morpholine-4-sulfonyl)quinolin-4(1H)-one
3-(azepane-1-carbonyl)-1-ethyl-6-(morpholine-4-sulfonyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-1480 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-ethyl-6-(morpholine-4-sulfonyl)quinolin-4(1H)-one |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCOCC1)(=O)=O)=O)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7974 |
| logD: | 1.7974 |
| logSw: | -2.876 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.158 |
| InChI Key: | ZRAAEOYBZVUPCQ-UHFFFAOYSA-N |