3-{[(4-bromophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8007-2112 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 412.31 |
| Molecular Formula: | C19 H14 Br N3 O S |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nnc(c2ccco2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7739 |
| logD: | 4.7739 |
| logSw: | -4.837 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.291 |
| InChI Key: | ZXFUAZMJRNNCOI-UHFFFAOYSA-N |