2-{[(2-butyl-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-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G432-0138 |
| Compound Name: | 2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C20 H24 N4 O2 S2 |
| Smiles: | CCCCC1=NN2C(=NC(CSCC(Nc3cc(C)cc(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.6121 |
| logD: | 4.6117 |
| logSw: | -4.3739 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.324 |
| InChI Key: | XAGZYPVELJXEPW-UHFFFAOYSA-N |