1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
Chemical Structure Depiction of
1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate
Compound characteristics
| Compound ID: | 8008-1996 |
| Compound Name: | 1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylcarbamimidothioate |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C26 H23 N3 O5 S |
| Smiles: | COc1ccccc1N1C(CC(C1=O)SC(/NCc1ccc2c(c1)OCO2)=N/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.243 |
| logD: | 3.2382 |
| logSw: | -3.559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.213 |
| InChI Key: | UJEKLJKCPSJHQM-QHCPKHFHSA-N |