N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1H-benzotriazole-5-carboxamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0014 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 354.72 |
| Molecular Formula: | C15 H10 Cl F3 N4 O |
| Smiles: | Cn1c2ccc(cc2nn1)C(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5812 |
| logD: | 2.9816 |
| logSw: | -4.1454 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.313 |
| InChI Key: | IZVXHTNJMJFMEJ-UHFFFAOYSA-N |