1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidothioate
Chemical Structure Depiction of
1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidothioate
1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidothioate
Compound characteristics
| Compound ID: | 8009-7414 |
| Compound Name: | 1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidothioate |
| Molecular Weight: | 547.63 |
| Molecular Formula: | C29 H29 N3 O6 S |
| Smiles: | CCOc1ccc(cc1)/N=C(/NCc1ccc2c(c1)OCO2)SC1CC(N(C1=O)c1ccc(cc1)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2512 |
| logD: | 4.2343 |
| logSw: | -4.2229 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.131 |
| InChI Key: | MYVJHZSNQHDWSO-SANMLTNESA-N |