1-benzyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6,7-difluoroquinolin-4(1H)-one
Chemical Structure Depiction of
1-benzyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6,7-difluoroquinolin-4(1H)-one
1-benzyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6,7-difluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | C682-1328 |
| Compound Name: | 1-benzyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6,7-difluoroquinolin-4(1H)-one |
| Molecular Weight: | 439.48 |
| Molecular Formula: | C24 H19 F2 N O3 S |
| Smiles: | Cc1ccc(C)c(c1)S(C1=CN(Cc2ccccc2)c2cc(c(cc2C1=O)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.747 |
| logD: | 4.747 |
| logSw: | -4.6137 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.063 |
| InChI Key: | QHWKQBBQNZCCMW-UHFFFAOYSA-N |