N-benzyl-1-[1-(4-cyanobenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[1-(4-cyanobenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-[1-(4-cyanobenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | S724-1002 |
| Compound Name: | N-benzyl-1-[1-(4-cyanobenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C21 H18 N6 O2 |
| Smiles: | C(c1ccccc1)NC(c1cn(C2CN(C2)C(c2ccc(C#N)cc2)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1817 |
| logD: | 1.1817 |
| logSw: | -1.6905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.56 |
| InChI Key: | IYCFPOHERPGVSY-UHFFFAOYSA-N |