2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
Chemical Structure Depiction of
2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
Compound characteristics
| Compound ID: | 8009-5846 |
| Compound Name: | 2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidothioate |
| Molecular Weight: | 615.67 |
| Molecular Formula: | C31 H32 F3 N3 O5 S |
| Smiles: | CCCOc1ccc(cc1)N1C(CC(C1=O)SC(/NCCc1ccc(c(c1)OC)OC)=N/c1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2317 |
| logD: | 5.2256 |
| logSw: | -5.1067 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.288 |
| InChI Key: | HBGFKUOBTDEASS-MHZLTWQESA-N |