7-[(2-methylphenoxy)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-[(2-methylphenoxy)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-[(2-methylphenoxy)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0272 |
| Compound Name: | 7-[(2-methylphenoxy)methyl]-3-phenyl-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: | Cc1ccccc1OCC1=NN2C(=NN=C(C2=O)c2ccccc2)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0122 |
| logD: | 3.9943 |
| logSw: | -4.2368 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.314 |
| InChI Key: | XYMNSVMZWONBSE-UHFFFAOYSA-N |