3-phenyl-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-phenyl-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-phenyl-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0266 |
| Compound Name: | 3-phenyl-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C19 H16 N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NN2C(=NN=C(C2=O)c2ccccc2)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1218 |
| logD: | 3.1043 |
| logSw: | -3.3153 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.803 |
| InChI Key: | LYWYICZCPHTNFY-UHFFFAOYSA-N |