1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl N-{4-[chloro(difluoro)methoxy]phenyl}-N'-(2-phenylethyl)carbamimidothioate
Chemical Structure Depiction of
1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl N-{4-[chloro(difluoro)methoxy]phenyl}-N'-(2-phenylethyl)carbamimidothioate
1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl N-{4-[chloro(difluoro)methoxy]phenyl}-N'-(2-phenylethyl)carbamimidothioate
Compound characteristics
| Compound ID: | 8010-5639 |
| Compound Name: | 1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl N-{4-[chloro(difluoro)methoxy]phenyl}-N'-(2-phenylethyl)carbamimidothioate |
| Molecular Weight: | 558.05 |
| Molecular Formula: | C28 H26 Cl F2 N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)N1C(CC(C1=O)SC(/Nc1ccc(cc1)OC(F)(F)[Cl])=N/CCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8545 |
| logD: | 6.8387 |
| logSw: | -6.1701 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.002 |
| InChI Key: | VSYDXTCZUVFPLJ-DEOSSOPVSA-N |