2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-[(pyridin-3-yl)methyl]acetamide
2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | 8020-0606 |
| Compound Name: | 2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 338.32 |
| Molecular Formula: | C16 H14 N6 O3 |
| Smiles: | C(C(NCc1cccnc1)=O)c1nc(c2cccc(c2)[N+]([O-])=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.5463 |
| logD: | 1.527 |
| logSw: | -1.5332 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.113 |
| InChI Key: | PSMOPLFBWJTJGD-UHFFFAOYSA-N |