methyl 2-{2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 5400-0690 |
| Compound Name: | methyl 2-{2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C19 H19 N5 O4 S2 |
| Smiles: | Cc1cc(C)nc(n1)SCc1nnc(o1)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2262 |
| logD: | 2.2124 |
| logSw: | -3.0503 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.261 |
| InChI Key: | FZGGYCCQDNKOFC-UHFFFAOYSA-N |