3-(azepane-1-carbonyl)-1-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-4(1H)-one
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-4(1H)-one
3-(azepane-1-carbonyl)-1-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-0216 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-4(1H)-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | CN1C=C(C(c2cc(ccc12)S(N1CCCC1)(=O)=O)=O)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8298 |
| logD: | 1.8298 |
| logSw: | -2.8371 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.605 |
| InChI Key: | LXSOJHZFBJZXQP-UHFFFAOYSA-N |