2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G432-0168 |
| Compound Name: | 2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C19 H20 N4 O2 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(CSCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8851 |
| logD: | 3.8817 |
| logSw: | -3.9209 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.672 |
| InChI Key: | MWQJDDSKGIQLHE-UHFFFAOYSA-N |