3,4,5-trimethoxy-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
3,4,5-trimethoxy-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | G072-2473 |
| Compound Name: | 3,4,5-trimethoxy-N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C20 H19 N5 O6 S2 |
| Smiles: | CC1=CC2=NC(CSc3nnc(NC(c4cc(c(c(c4)OC)OC)OC)=O)s3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3404 |
| logD: | 2.3389 |
| logSw: | -2.8495 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.406 |
| InChI Key: | PNTNPLUSQAOIHD-UHFFFAOYSA-N |