2,2-dimethyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)propanamide
2,2-dimethyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)propanamide
Compound characteristics
| Compound ID: | G072-1045 |
| Compound Name: | 2,2-dimethyl-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)propanamide |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C18 H20 N4 O2 S2 |
| Smiles: | CC1=NN2C(=NC(CSc3ccccc3NC(C(C)(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1032 |
| logD: | 3.1007 |
| logSw: | -3.4137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.109 |
| InChI Key: | ZVJZDTISNFRYKJ-UHFFFAOYSA-N |