3-{[(2-bromophenyl)methyl]sulfanyl}-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-bromophenyl)methyl]sulfanyl}-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
3-{[(2-bromophenyl)methyl]sulfanyl}-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8010-4578 |
| Compound Name: | 3-{[(2-bromophenyl)methyl]sulfanyl}-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 405.27 |
| Molecular Formula: | C16 H13 Br N4 O2 S |
| Smiles: | Cn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5269 |
| logD: | 4.5269 |
| logSw: | -4.3764 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.432 |
| InChI Key: | IDKORPCVVKPQDI-UHFFFAOYSA-N |