N-{2-[4-(dimethylamino)phenyl]-2H-benzotriazol-5-yl}-4-iodobenzamide
Chemical Structure Depiction of
N-{2-[4-(dimethylamino)phenyl]-2H-benzotriazol-5-yl}-4-iodobenzamide
N-{2-[4-(dimethylamino)phenyl]-2H-benzotriazol-5-yl}-4-iodobenzamide
Compound characteristics
| Compound ID: | Y508-1533 |
| Compound Name: | N-{2-[4-(dimethylamino)phenyl]-2H-benzotriazol-5-yl}-4-iodobenzamide |
| Molecular Weight: | 483.31 |
| Molecular Formula: | C21 H18 I N5 O |
| Smiles: | CN(C)c1ccc(cc1)n1nc2ccc(cc2n1)NC(c1ccc(cc1)I)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5959 |
| logD: | 5.5768 |
| logSw: | -5.4538 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.169 |
| InChI Key: | RDOBSHWDROQALJ-UHFFFAOYSA-N |