2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl N'-(3,4-dimethylphenyl)-N-methylcarbamimidothioate
Chemical Structure Depiction of
2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl N'-(3,4-dimethylphenyl)-N-methylcarbamimidothioate
2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl N'-(3,4-dimethylphenyl)-N-methylcarbamimidothioate
Compound characteristics
| Compound ID: | 8010-4096 |
| Compound Name: | 2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl N'-(3,4-dimethylphenyl)-N-methylcarbamimidothioate |
| Molecular Weight: | 451.47 |
| Molecular Formula: | C21 H20 F3 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)/N=C(\NC)SC1CC(N(C1=O)c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6924 |
| logD: | 4.6497 |
| logSw: | -4.452 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.126 |
| InChI Key: | OVKYSVYSRYYCNU-KRWDZBQOSA-N |