3-methyl-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
3-methyl-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
3-methyl-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: | G072-1876 |
| Compound Name: | 3-methyl-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: | 430.53 |
| Molecular Formula: | C17 H14 N6 O2 S3 |
| Smiles: | CC1=NN2C(=NC(CSc3nnc(NC(c4cccc(C)c4)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6681 |
| logD: | 3.5263 |
| logSw: | -3.8832 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.441 |
| InChI Key: | BCZCLCDIIVQWGJ-UHFFFAOYSA-N |