1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-methylcarbamimidothioate
Chemical Structure Depiction of
1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-methylcarbamimidothioate
1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-methylcarbamimidothioate
Compound characteristics
Compound ID: | 8009-4191 |
Compound Name: | 1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-methylcarbamimidothioate |
Molecular Weight: | 401.41 |
Molecular Formula: | C19 H16 F N3 O4 S |
Smiles: | CN\C(=N/c1ccc2c(c1)OCO2)SC1CC(N(C1=O)c1ccccc1F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.3669 |
logD: | 2.3572 |
logSw: | -2.9819 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.004 |
InChI Key: | TUBZRCPPYDCATH-INIZCTEOSA-N |