3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | K822-0067 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 467.34 |
| Molecular Formula: | C21 H15 Br N4 O2 S |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nnc(c2cccc(c2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7685 |
| logD: | 5.7685 |
| logSw: | -6.0745 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.094 |
| InChI Key: | BXSLADOFNBKOJP-UHFFFAOYSA-N |