4-methoxy-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)benzamide
Chemical Structure Depiction of
4-methoxy-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)benzamide
4-methoxy-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)benzamide
Compound characteristics
| Compound ID: | G072-1891 |
| Compound Name: | 4-methoxy-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)benzamide |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C17 H14 N6 O3 S3 |
| Smiles: | CC1=NN2C(=NC(CSc3nnc(NC(c4ccc(cc4)OC)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.2795 |
| logD: | 3.254 |
| logSw: | -3.5788 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.985 |
| InChI Key: | GAHWQHIQPSWYSF-UHFFFAOYSA-N |