3,6-bis{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3,6-bis{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3,6-bis{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8009-4921 |
| Compound Name: | 3,6-bis{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 439.4 |
| Molecular Formula: | C17 H12 Cl2 N4 S3 |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nnc2n1nc(SCc1ccc(cc1)[Cl])s2 |
| Stereo: | ACHIRAL |
| logP: | 5.143 |
| logD: | 5.143 |
| logSw: | -5.8014 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.665 |
| InChI Key: | BEXJKJRPHBXKSZ-UHFFFAOYSA-N |