1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-ethylcarbamimidothioate
Chemical Structure Depiction of
1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-ethylcarbamimidothioate
1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-ethylcarbamimidothioate
Compound characteristics
| Compound ID: | Y508-3033 |
| Compound Name: | 1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-ethylcarbamimidothioate |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C20 H18 Cl N3 O4 S |
| Smiles: | CCN\C(=N/c1ccc2c(c1)OCO2)SC1CC(N(C1=O)c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3212 |
| logD: | 3.3141 |
| logSw: | -3.6033 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.781 |
| InChI Key: | TVKZVEKQFUXAHP-QGZVFWFLSA-N |