3-methyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)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}phenyl)benzamide
3-methyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | G072-1050 |
| Compound Name: | 3-methyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C21 H18 N4 O2 S2 |
| Smiles: | CC1=NN2C(=NC(CSc3ccccc3NC(c3cccc(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8832 |
| logD: | 3.8803 |
| logSw: | -3.9443 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.837 |
| InChI Key: | IWHIFMLJGAEGMJ-UHFFFAOYSA-N |