N-benzyl-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide
N-benzyl-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide
Compound characteristics
Compound ID: | 8019-9747 |
Compound Name: | N-benzyl-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide |
Molecular Weight: | 337.34 |
Molecular Formula: | C17 H15 N5 O3 |
Smiles: | C(C(NCc1ccccc1)=O)c1nc(c2ccc(cc2)[N+]([O-])=O)n[nH]1 |
Stereo: | ACHIRAL |
logP: | 2.7556 |
logD: | 2.7467 |
logSw: | -3.211 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 92.595 |
InChI Key: | RYTNXPFBMPKLRS-UHFFFAOYSA-N |