3-methyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
3-methyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
3-methyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | G072-1845 |
| Compound Name: | 3-methyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C22 H17 N5 O2 S3 |
| Smiles: | CC1=NN2C(=NC(CSc3nc4ccc(cc4s3)NC(c3cccc(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.9202 |
| logD: | 4.9157 |
| logSw: | -4.6892 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.617 |
| InChI Key: | XHPRYQBZUGGBSX-UHFFFAOYSA-N |