3-(4-methylphenyl)-7-(phenoxymethyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-(4-methylphenyl)-7-(phenoxymethyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-(4-methylphenyl)-7-(phenoxymethyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0559 |
| Compound Name: | 3-(4-methylphenyl)-7-(phenoxymethyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 350.4 |
| Molecular Formula: | C18 H14 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1C(N2C(=NN=1)SC(COc1ccccc1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0374 |
| logD: | 4.0307 |
| logSw: | -4.0818 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.228 |
| InChI Key: | ZGYDSLLACWRBSI-UHFFFAOYSA-N |