ethyl 4-{2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | Y010-1480 |
| Compound Name: | ethyl 4-{2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C20 H21 N5 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(CSc2nc(C)cc(C)n2)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1031 |
| logD: | 3.103 |
| logSw: | -3.2545 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.539 |
| InChI Key: | PUEOLSNTGKAAKB-UHFFFAOYSA-N |