3-benzyl-7-(butylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-benzyl-7-(butylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-benzyl-7-(butylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D035-0125 |
| Compound Name: | 3-benzyl-7-(butylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C15 H16 N4 O S2 |
| Smiles: | CCCCSC1=NN2C(=NN=C(Cc3ccccc3)C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5713 |
| logD: | 4.5668 |
| logSw: | -4.4302 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.42 |
| InChI Key: | XFNQXQBWDFSDRW-UHFFFAOYSA-N |