3-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0553 |
| Compound Name: | 3-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | Cc1ccc(cc1)C1C(N2C(=NN=1)SC(c1cc(c(c(c1)OC)OC)OC)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6502 |
| logD: | 3.6328 |
| logSw: | -3.8738 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.803 |
| InChI Key: | HCDVUDUHOJUJDV-UHFFFAOYSA-N |