methyl 4-{3-[(N-ethyl-N'-phenylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-[(N-ethyl-N'-phenylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
methyl 4-{3-[(N-ethyl-N'-phenylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8009-2179 |
| Compound Name: | methyl 4-{3-[(N-ethyl-N'-phenylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CCN\C(=N/c1ccccc1)SC1CC(N(C1=O)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5151 |
| logD: | 2.5112 |
| logSw: | -2.7694 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.839 |
| InChI Key: | XNMLFCLAKMVGRY-KRWDZBQOSA-N |