6-(azepane-1-sulfonyl)-3-(4-benzylpiperazine-1-carbonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-3-(4-benzylpiperazine-1-carbonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one
6-(azepane-1-sulfonyl)-3-(4-benzylpiperazine-1-carbonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-2657 |
| Compound Name: | 6-(azepane-1-sulfonyl)-3-(4-benzylpiperazine-1-carbonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one |
| Molecular Weight: | 548.7 |
| Molecular Formula: | C30 H36 N4 O4 S |
| Smiles: | C=CCN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3433 |
| logD: | 3.3226 |
| logSw: | -3.9196 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.043 |
| InChI Key: | MXEWWOOIVHPCPE-UHFFFAOYSA-N |