2-[(3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-methoxyphenyl)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-methoxyphenyl)acetamide
2-[(3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D035-0129 |
| Compound Name: | 2-[(3-benzyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C20 H17 N5 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(CSC1=NN2C(=NN=C(Cc3ccccc3)C2=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9893 |
| logD: | 3.987 |
| logSw: | -4.2604 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.841 |
| InChI Key: | PBTKQPCXZRNLND-UHFFFAOYSA-N |