1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidothioate
Chemical Structure Depiction of
1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidothioate
1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidothioate
Compound characteristics
| Compound ID: | 8009-2009 |
| Compound Name: | 1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidothioate |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | CCN\C(=N/Cc1ccc2c(c1)OCO2)SC1CC(N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4528 |
| logD: | 3.4481 |
| logSw: | -3.8519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.299 |
| InChI Key: | MBLRGJZEPDZPRE-GOSISDBHSA-N |