1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidothioate
Chemical Structure Depiction of
1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidothioate
1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidothioate
Compound characteristics
| Compound ID: | 8009-2008 |
| Compound Name: | 1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidothioate |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C21 H20 F N3 O4 S |
| Smiles: | CCN\C(=N/Cc1ccc2c(c1)OCO2)SC1CC(N(C1=O)c1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9005 |
| logD: | 2.8958 |
| logSw: | -3.4515 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.998 |
| InChI Key: | YVODPAATUVSFHD-SFHVURJKSA-N |