1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N'-heptyl-N-(4-methoxyphenyl)carbamimidothioate
Chemical Structure Depiction of
1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N'-heptyl-N-(4-methoxyphenyl)carbamimidothioate
1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N'-heptyl-N-(4-methoxyphenyl)carbamimidothioate
Compound characteristics
Compound ID: | 8010-5653 |
Compound Name: | 1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N'-heptyl-N-(4-methoxyphenyl)carbamimidothioate |
Molecular Weight: | 554.06 |
Molecular Formula: | C26 H30 Cl F2 N3 O4 S |
Smiles: | CCCCCCC/N=C(/Nc1ccc(cc1)OC)SC1CC(N(C1=O)c1ccc(cc1)OC(F)(F)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.8098 |
logD: | 6.8053 |
logSw: | -6.2757 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.118 |
InChI Key: | SVDFXGYCKITSEW-JOCHJYFZSA-N |