2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
Chemical Structure Depiction of
2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
Compound characteristics
| Compound ID: | 8008-6052 |
| Compound Name: | 2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C19 H17 N3 O4 S |
| Smiles: | C1C(C(NC1=O)=O)SC(/NCc1ccc2c(c1)OCO2)=N/c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9963 |
| logD: | 1.9717 |
| logSw: | -2.7827 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.673 |
| InChI Key: | SWLBSNVVVQQSSL-INIZCTEOSA-N |