4-(4-benzyl-5-{[(4-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine
Chemical Structure Depiction of
4-(4-benzyl-5-{[(4-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine
4-(4-benzyl-5-{[(4-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine
Compound characteristics
| Compound ID: | K822-0422 |
| Compound Name: | 4-(4-benzyl-5-{[(4-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine |
| Molecular Weight: | 437.36 |
| Molecular Formula: | C21 H17 Br N4 S |
| Smiles: | C(c1ccccc1)n1c(c2ccncc2)nnc1SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9029 |
| logD: | 4.9015 |
| logSw: | -4.7265 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.397 |
| InChI Key: | KKISOWQVDFQKKG-UHFFFAOYSA-N |