7-(methylsulfanyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-(methylsulfanyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-(methylsulfanyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D035-0001 |
| Compound Name: | 7-(methylsulfanyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 276.34 |
| Molecular Formula: | C11 H8 N4 O S2 |
| Smiles: | CSC1=NN2C(=NN=C(C2=O)c2ccccc2)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.9243 |
| logD: | 2.9207 |
| logSw: | -3.2324 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.516 |
| InChI Key: | BAQSTHYZHJTXBK-UHFFFAOYSA-N |