N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
Chemical Structure Depiction of
N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | G072-1879 |
| Compound Name: | N-(5-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C18 H16 N6 O3 S3 |
| Smiles: | CC1=NN2C(=NC(CSc3nnc(NC(COc4ccccc4C)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7064 |
| logD: | 3.7023 |
| logSw: | -4.0657 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.813 |
| InChI Key: | PGDQKBNIRQZPGY-UHFFFAOYSA-N |