7-[(2-chlorophenoxy)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-[(2-chlorophenoxy)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-[(2-chlorophenoxy)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0274 |
| Compound Name: | 7-[(2-chlorophenoxy)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 370.81 |
| Molecular Formula: | C17 H11 Cl N4 O2 S |
| Smiles: | C(C1=NN2C(=NN=C(C2=O)c2ccccc2)S1)Oc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9322 |
| logD: | 3.9286 |
| logSw: | -4.3323 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.314 |
| InChI Key: | YFAAGRFEVSJENK-UHFFFAOYSA-N |