1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl N,N'-diethylcarbamimidothioate
Chemical Structure Depiction of
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl N,N'-diethylcarbamimidothioate
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl N,N'-diethylcarbamimidothioate
Compound characteristics
| Compound ID: | Y508-2115 |
| Compound Name: | 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl N,N'-diethylcarbamimidothioate |
| Molecular Weight: | 393.5 |
| Molecular Formula: | C19 H27 N3 O4 S |
| Smiles: | CCN/C(=N/CC)SC1CC(N(CCc2ccc(c(c2)OC)OC)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7902 |
| logD: | 0.5054 |
| logSw: | -2.5223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.932 |
| InChI Key: | KLMLOPZVOIUQBC-INIZCTEOSA-N |