1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(4-methoxyphenyl)methyl]-N'-phenylcarbamimidothioate
Chemical Structure Depiction of
1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(4-methoxyphenyl)methyl]-N'-phenylcarbamimidothioate
1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(4-methoxyphenyl)methyl]-N'-phenylcarbamimidothioate
Compound characteristics
| Compound ID: | 8008-2021 |
| Compound Name: | 1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(4-methoxyphenyl)methyl]-N'-phenylcarbamimidothioate |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | CCOc1cccc(c1)N1C(CC(C1=O)SC(/NCc1ccc(cc1)OC)=N/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0123 |
| logD: | 4.0075 |
| logSw: | -4.1601 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.435 |
| InChI Key: | KOIWQBQFXAHZDK-DEOSSOPVSA-N |