methyl 4,5-dimethoxy-2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4,5-dimethoxy-2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8015-9689 |
| Compound Name: | methyl 4,5-dimethoxy-2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C16 H19 N3 O5 S |
| Smiles: | Cn1ccnc1SCC(Nc1cc(c(cc1C(=O)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1668 |
| logD: | 0.955 |
| logSw: | -2.4443 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.772 |
| InChI Key: | OKEOXZQGSHMWCP-UHFFFAOYSA-N |