6-[(4-chlorophenoxy)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-chlorophenoxy)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-chlorophenoxy)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0207 |
| Compound Name: | 6-[(4-chlorophenoxy)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 388.9 |
| Molecular Formula: | C17 H13 Cl N4 O S2 |
| Smiles: | C(c1nn2c(CSc3ccccc3)nnc2s1)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.933 |
| logD: | 3.933 |
| logSw: | -4.4409 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.692 |
| InChI Key: | MOQUNMITYZPADZ-UHFFFAOYSA-N |