N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8018-2518 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide |
| Molecular Weight: | 286.25 |
| Molecular Formula: | C12 H10 N6 O3 |
| Smiles: | C(C#N)c1ccc(cc1)NC(Cn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7559 |
| logD: | 0.7559 |
| logSw: | -2.2256 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.276 |
| InChI Key: | ZSOPDIKURQFWOW-UHFFFAOYSA-N |