7-(3-chlorophenyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-(3-chlorophenyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-(3-chlorophenyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0295 |
| Compound Name: | 7-(3-chlorophenyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 278.72 |
| Molecular Formula: | C11 H7 Cl N4 O S |
| Smiles: | CC1C(N2C(=NN=1)SC(c1cccc(c1)[Cl])=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8058 |
| logD: | 2.7971 |
| logSw: | -3.4818 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.27 |
| InChI Key: | HDIZCAPTWDDNBR-UHFFFAOYSA-N |