methyl 4-{2-[(1-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(1-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(1-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F342-0033 |
| Compound Name: | methyl 4-{2-[(1-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | Cn1c(cnc1SCC(Nc1ccc(cc1)C(=O)OC)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.958 |
| logD: | 3.9527 |
| logSw: | -3.9819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.896 |
| InChI Key: | ZBIPTBSDOCKRFD-UHFFFAOYSA-N |