4-chloro-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-chloro-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-chloro-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: | G072-1858 |
| Compound Name: | 4-chloro-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: | 450.95 |
| Molecular Formula: | C16 H11 Cl N6 O2 S3 |
| Smiles: | CC1=NN2C(=NC(CSc3nnc(NC(c4ccc(cc4)[Cl])=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8918 |
| logD: | 3.5985 |
| logSw: | -4.4602 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.441 |
| InChI Key: | MYUYHSBUGBSDLE-UHFFFAOYSA-N |