methyl 4-(3-{[N'-(2,5-dichlorophenyl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-{[N'-(2,5-dichlorophenyl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
methyl 4-(3-{[N'-(2,5-dichlorophenyl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 8009-5203 |
| Compound Name: | methyl 4-(3-{[N'-(2,5-dichlorophenyl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate |
| Molecular Weight: | 466.34 |
| Molecular Formula: | C20 H17 Cl2 N3 O4 S |
| Smiles: | CN\C(=N/c1cc(ccc1[Cl])[Cl])SC1CC(N(C1=O)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3398 |
| logD: | 3.3389 |
| logSw: | -3.7747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.666 |
| InChI Key: | AFXPYHKXSBBVDU-INIZCTEOSA-N |