3,4-dimethoxy-N-[2-(3-nitrophenyl)-2H-benzotriazol-5-yl]benzamide
Chemical Structure Depiction of
3,4-dimethoxy-N-[2-(3-nitrophenyl)-2H-benzotriazol-5-yl]benzamide
3,4-dimethoxy-N-[2-(3-nitrophenyl)-2H-benzotriazol-5-yl]benzamide
Compound characteristics
| Compound ID: | 3370-3382 |
| Compound Name: | 3,4-dimethoxy-N-[2-(3-nitrophenyl)-2H-benzotriazol-5-yl]benzamide |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C21 H17 N5 O5 |
| Smiles: | COc1ccc(cc1OC)C(Nc1ccc2c(c1)nn(c1cccc(c1)[N+]([O-])=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.764 |
| logD: | 3.7622 |
| logSw: | -4.1896 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.006 |
| InChI Key: | SSCXYIRDUYZBAN-UHFFFAOYSA-N |