3-(3,5-dimethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1-methylquinolin-4(1H)-one
Chemical Structure Depiction of
3-(3,5-dimethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1-methylquinolin-4(1H)-one
3-(3,5-dimethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0609 |
| Compound Name: | 3-(3,5-dimethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1-methylquinolin-4(1H)-one |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C24 H28 F N3 O3 S |
| Smiles: | CCN1CCN(CC1)c1cc2c(cc1F)C(C(=CN2C)S(c1cc(C)cc(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9202 |
| logD: | 2.5152 |
| logSw: | -3.4503 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.738 |
| InChI Key: | KUNWFOCRUPLTBR-UHFFFAOYSA-N |