4-cyano-N-{2-[4-(diethylamino)phenyl]-6-methyl-2H-benzotriazol-5-yl}-2-fluorobenzamide
Chemical Structure Depiction of
4-cyano-N-{2-[4-(diethylamino)phenyl]-6-methyl-2H-benzotriazol-5-yl}-2-fluorobenzamide
4-cyano-N-{2-[4-(diethylamino)phenyl]-6-methyl-2H-benzotriazol-5-yl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | 8510-0254 |
| Compound Name: | 4-cyano-N-{2-[4-(diethylamino)phenyl]-6-methyl-2H-benzotriazol-5-yl}-2-fluorobenzamide |
| Molecular Weight: | 442.5 |
| Molecular Formula: | C25 H23 F N6 O |
| Smiles: | CCN(CC)c1ccc(cc1)n1nc2cc(C)c(cc2n1)NC(c1ccc(C#N)cc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0127 |
| logD: | 4.5218 |
| logSw: | -4.6017 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.459 |
| InChI Key: | XWRWZEIJRQELRB-UHFFFAOYSA-N |