1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-ethylcarbamimidothioate
Chemical Structure Depiction of
1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-ethylcarbamimidothioate
1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-ethylcarbamimidothioate
Compound characteristics
| Compound ID: | Y508-1209 |
| Compound Name: | 1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-ethylcarbamimidothioate |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | CCN\C(=N/c1ccc2c(c1)OCO2)SC1CC(N(C1=O)c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.664 |
| logD: | 2.657 |
| logSw: | -3.1343 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.324 |
| InChI Key: | KCABGURKQYBMHO-SFHVURJKSA-N |