3-(3,5-dimethylbenzene-1-sulfonyl)-1-ethyl-7-(4-ethylpiperazin-1-yl)-6-fluoroquinolin-4(1H)-one
Chemical Structure Depiction of
3-(3,5-dimethylbenzene-1-sulfonyl)-1-ethyl-7-(4-ethylpiperazin-1-yl)-6-fluoroquinolin-4(1H)-one
3-(3,5-dimethylbenzene-1-sulfonyl)-1-ethyl-7-(4-ethylpiperazin-1-yl)-6-fluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0625 |
| Compound Name: | 3-(3,5-dimethylbenzene-1-sulfonyl)-1-ethyl-7-(4-ethylpiperazin-1-yl)-6-fluoroquinolin-4(1H)-one |
| Molecular Weight: | 471.59 |
| Molecular Formula: | C25 H30 F N3 O3 S |
| Smiles: | CCN1CCN(CC1)c1cc2c(cc1F)C(C(=CN2CC)S(c1cc(C)cc(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5468 |
| logD: | 3.1418 |
| logSw: | -3.97 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.748 |
| InChI Key: | CMBDLNKLNVGCBE-UHFFFAOYSA-N |