3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-4992 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 452.37 |
| Molecular Formula: | C22 H18 Br N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.8068 |
| logD: | 5.8068 |
| logSw: | -5.7182 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | VFUYSEBJRMYFPO-UHFFFAOYSA-N |