N-(4-bromophenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-bromophenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8014-1676 |
| Compound Name: | N-(4-bromophenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 453.27 |
| Molecular Formula: | C14 H13 Br N8 O3 S |
| Smiles: | Cn1c(Cn2cnc(n2)[N+]([O-])=O)nnc1SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5159 |
| logD: | 1.5154 |
| logSw: | -2.5521 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.844 |
| InChI Key: | LHXLFGRAXWJNHQ-UHFFFAOYSA-N |