1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6,7-difluoroquinolin-4(1H)-one
Chemical Structure Depiction of
1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6,7-difluoroquinolin-4(1H)-one
1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6,7-difluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | C682-1327 |
| Compound Name: | 1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6,7-difluoroquinolin-4(1H)-one |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C21 H21 F2 N O3 S |
| Smiles: | CCCCN1C=C(C(c2cc(c(cc12)F)F)=O)S(c1cc(C)ccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6157 |
| logD: | 4.6157 |
| logSw: | -4.3233 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.313 |
| InChI Key: | MPMIDVGSVHBQQN-UHFFFAOYSA-N |