2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
Chemical Structure Depiction of
2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
Compound characteristics
| Compound ID: | 8010-4139 |
| Compound Name: | 2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate |
| Molecular Weight: | 543.52 |
| Molecular Formula: | C26 H20 F3 N3 O5 S |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)OC(F)(F)F)=O)SC(/NCc1ccc2c(c1)OCO2)=N/c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.583 |
| logD: | 4.5782 |
| logSw: | -4.5742 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.82 |
| InChI Key: | UTDSJHSCOFBLQR-QFIPXVFZSA-N |