N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-fluoro-N'-(4-methylbenzene-1-sulfonyl)benzene-1-carboximidamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-fluoro-N'-(4-methylbenzene-1-sulfonyl)benzene-1-carboximidamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-fluoro-N'-(4-methylbenzene-1-sulfonyl)benzene-1-carboximidamide
Compound characteristics
Compound ID: | K058-0333 |
Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-fluoro-N'-(4-methylbenzene-1-sulfonyl)benzene-1-carboximidamide |
Molecular Weight: | 454.48 |
Molecular Formula: | C23 H19 F N2 O5 S |
Smiles: | CC(c1cc2c(cc1NC(/c1ccc(cc1)F)=N/S(c1ccc(C)cc1)(=O)=O)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 4.5925 |
logD: | 2.6471 |
logSw: | -4.3483 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.933 |
InChI Key: | YCSJIVGPAAZGMI-UHFFFAOYSA-N |