1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N-(3,5-dichloro-4-hydroxyphenyl)-N'-methylcarbamimidothioate
Chemical Structure Depiction of
1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N-(3,5-dichloro-4-hydroxyphenyl)-N'-methylcarbamimidothioate
1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N-(3,5-dichloro-4-hydroxyphenyl)-N'-methylcarbamimidothioate
Compound characteristics
| Compound ID: | 8010-5651 |
| Compound Name: | 1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N-(3,5-dichloro-4-hydroxyphenyl)-N'-methylcarbamimidothioate |
| Molecular Weight: | 524.76 |
| Molecular Formula: | C19 H14 Cl3 F2 N3 O4 S |
| Smiles: | C/N=C(/Nc1cc(c(c(c1)[Cl])O)[Cl])SC1CC(N(C1=O)c1ccc(cc1)OC(F)(F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0444 |
| logD: | 4.8534 |
| logSw: | -4.8446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.447 |
| InChI Key: | BHIBTDBQSBPKCI-AWEZNQCLSA-N |