2,6-bis({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
Chemical Structure Depiction of
2,6-bis({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
2,6-bis({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine
Compound characteristics
| Compound ID: | 8012-4913 |
| Compound Name: | 2,6-bis({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)pyridine |
| Molecular Weight: | 669.83 |
| Molecular Formula: | C37 H31 N7 O2 S2 |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1cccc(CSc2nnc(c3ccc(cc3)OC)n2c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.9366 |
| logD: | 7.9342 |
| logSw: | -6.0329 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.881 |
| InChI Key: | ZRBHHFQXKQCUEC-UHFFFAOYSA-N |