7-(4-benzylpiperazin-1-yl)-6-fluoro-1-methyl-3-(3-methylbenzene-1-sulfonyl)quinolin-4(1H)-one
Chemical Structure Depiction of
7-(4-benzylpiperazin-1-yl)-6-fluoro-1-methyl-3-(3-methylbenzene-1-sulfonyl)quinolin-4(1H)-one
7-(4-benzylpiperazin-1-yl)-6-fluoro-1-methyl-3-(3-methylbenzene-1-sulfonyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0535 |
| Compound Name: | 7-(4-benzylpiperazin-1-yl)-6-fluoro-1-methyl-3-(3-methylbenzene-1-sulfonyl)quinolin-4(1H)-one |
| Molecular Weight: | 505.61 |
| Molecular Formula: | C28 H28 F N3 O3 S |
| Smiles: | Cc1cccc(c1)S(C1=CN(C)c2cc(c(cc2C1=O)F)N1CCN(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6909 |
| logD: | 3.6451 |
| logSw: | -3.9873 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.742 |
| InChI Key: | IWIKQXFKTBROQR-UHFFFAOYSA-N |