2-[(3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-methylphenyl)acetamide
2-[(3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D035-0132 |
| Compound Name: | 2-[(3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C20 H17 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(CSC1=NN2C(=NN=C(Cc3ccccc3)C2=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4303 |
| logD: | 4.428 |
| logSw: | -4.326 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.297 |
| InChI Key: | ABBYHVWXMLGVHU-UHFFFAOYSA-N |