1-methyl-N-[3-(trifluoromethyl)phenyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-methyl-N-[3-(trifluoromethyl)phenyl]-1H-benzotriazole-5-carboxamide
1-methyl-N-[3-(trifluoromethyl)phenyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0013 |
| Compound Name: | 1-methyl-N-[3-(trifluoromethyl)phenyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 320.27 |
| Molecular Formula: | C15 H11 F3 N4 O |
| Smiles: | Cn1c2ccc(cc2nn1)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0172 |
| logD: | 2.9971 |
| logSw: | -3.5455 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.313 |
| InChI Key: | MKKXITAOQLVKGN-UHFFFAOYSA-N |