7-[(2-chlorophenoxy)methyl]-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-[(2-chlorophenoxy)methyl]-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-[(2-chlorophenoxy)methyl]-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0321 |
| Compound Name: | 7-[(2-chlorophenoxy)methyl]-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 308.74 |
| Molecular Formula: | C12 H9 Cl N4 O2 S |
| Smiles: | CC1C(N2C(=NN=1)SC(COc1ccccc1[Cl])=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6112 |
| logD: | 2.5673 |
| logSw: | -3.0601 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.759 |
| InChI Key: | YNHLINRRWNXRTF-UHFFFAOYSA-N |