3,4,5-trimethoxy-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
3,4,5-trimethoxy-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | G072-1070 |
| Compound Name: | 3,4,5-trimethoxy-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | CC1=NN2C(=NC(CSc3ccccc3NC(c3cc(c(c(c3)OC)OC)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.293 |
| logD: | 3.2905 |
| logSw: | -3.6567 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.815 |
| InChI Key: | PJFTWAUFIMFFJT-UHFFFAOYSA-N |