7-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0821 |
| Compound Name: | 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | COc1ccc(CCC2=NN3C(=NN=C(C3=O)c3ccccc3)S2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7706 |
| logD: | 3.7619 |
| logSw: | -4.0173 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.989 |
| InChI Key: | RCBOSYQQAQFTRB-UHFFFAOYSA-N |