2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2-phenylethyl)acetamide
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2-phenylethyl)acetamide
Compound characteristics
Compound ID: | 8017-1614 |
Compound Name: | 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(2-phenylethyl)acetamide |
Molecular Weight: | 354.16 |
Molecular Formula: | C12 H12 Br N5 O3 |
Smiles: | C(CNC(Cn1c(nc(n1)[N+]([O-])=O)[Br])=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 1.088 |
logD: | 1.088 |
logSw: | -2.3076 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.246 |
InChI Key: | RVWMTEQEDKDISG-UHFFFAOYSA-N |