methyl 4-[3-({N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-({N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate
methyl 4-[3-({N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate
Compound characteristics
| Compound ID: | 8009-2181 |
| Compound Name: | methyl 4-[3-({N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-ethylcarbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C23 H23 N3 O6 S |
| Smiles: | CCN\C(=N/Cc1ccc2c(c1)OCO2)SC1CC(N(C1=O)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9488 |
| logD: | 2.9442 |
| logSw: | -3.4381 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.473 |
| InChI Key: | BUEHPYQPARQBJN-IBGZPJMESA-N |