1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-methylcarbamimidothioate
Chemical Structure Depiction of
1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-methylcarbamimidothioate
1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-methylcarbamimidothioate
Compound characteristics
| Compound ID: | 8009-4194 |
| Compound Name: | 1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl N'-(2H-1,3-benzodioxol-5-yl)-N-methylcarbamimidothioate |
| Molecular Weight: | 509.32 |
| Molecular Formula: | C19 H16 I N3 O4 S |
| Smiles: | CN\C(=N/c1ccc2c(c1)OCO2)SC1CC(N(C1=O)c1ccc(cc1)I)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5351 |
| logD: | 3.5254 |
| logSw: | -3.7719 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.305 |
| InChI Key: | PTRCKDOGLIXWIH-MRXNPFEDSA-N |