2,5-dioxo-1-phenylpyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidothioate
Chemical Structure Depiction of
2,5-dioxo-1-phenylpyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidothioate
2,5-dioxo-1-phenylpyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidothioate
Compound characteristics
| Compound ID: | 8009-5849 |
| Compound Name: | 2,5-dioxo-1-phenylpyrrolidin-3-yl N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-ethoxyphenyl)carbamimidothioate |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C27 H25 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)/N=C(\NCc1ccc2c(c1)OCO2)SC1CC(N(C1=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7607 |
| logD: | 3.7438 |
| logSw: | -3.8881 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.007 |
| InChI Key: | JLJGOMNYIRFYSM-DEOSSOPVSA-N |