N-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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: | 8014-1675 |
Compound Name: | N-(4-ethoxyphenyl)-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: | 418.43 |
Molecular Formula: | C16 H18 N8 O4 S |
Smiles: | CCOc1ccc(cc1)NC(CSc1nnc(Cn2cnc(n2)[N+]([O-])=O)n1C)=O |
Stereo: | ACHIRAL |
logP: | 1.0509 |
logD: | 1.0506 |
logSw: | -2.5092 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 112.967 |
InChI Key: | RMNKEIIMFNDAKN-UHFFFAOYSA-N |