1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N-(3,5-dichloro-4-hydroxyphenyl)-N'-ethylcarbamimidothioate--acetic acid (1/1)
Chemical Structure Depiction of
1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N-(3,5-dichloro-4-hydroxyphenyl)-N'-ethylcarbamimidothioate--acetic acid (1/1)
1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N-(3,5-dichloro-4-hydroxyphenyl)-N'-ethylcarbamimidothioate--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8010-5654 |
| Compound Name: | 1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N-(3,5-dichloro-4-hydroxyphenyl)-N'-ethylcarbamimidothioate--acetic acid (1/1) |
| Molecular Weight: | 598.84 |
| Molecular Formula: | C20 H16 Cl3 F2 N3 O4 S |
| Salt: | CH3COOH |
| Smiles: | CC/N=C(/Nc1cc(c(c(c1)[Cl])O)[Cl])SC1CC(N(C1=O)c1ccc(cc1)OC(F)(F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5519 |
| logD: | 5.3689 |
| logSw: | -5.4631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.838 |
| InChI Key: | VYPHNTBTYYCSMB-HNNXBMFYSA-N |