7-(3,4-dimethoxyphenyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-(3,4-dimethoxyphenyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-(3,4-dimethoxyphenyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0265 |
| Compound Name: | 7-(3,4-dimethoxyphenyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 366.4 |
| Molecular Formula: | C18 H14 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C1=NN2C(=NN=C(C2=O)c2ccccc2)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.0882 |
| logD: | 3.0841 |
| logSw: | -3.3551 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.086 |
| InChI Key: | NCHBVJYKORMRLM-UHFFFAOYSA-N |