N-(3-chlorophenyl)-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-(3-chlorophenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-chlorophenyl)-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: | 8014-1672 |
Compound Name: | N-(3-chlorophenyl)-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: | 408.82 |
Molecular Formula: | C14 H13 Cl N8 O3 S |
Smiles: | Cn1c(Cn2cnc(n2)[N+]([O-])=O)nnc1SCC(Nc1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 1.4355 |
logD: | 1.4351 |
logSw: | -2.805 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 105.844 |
InChI Key: | GJAYROXDMVPASQ-UHFFFAOYSA-N |