N-[4-chloro-3-(trifluoromethyl)phenyl]-1-propyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-propyl-1H-benzotriazole-5-carboxamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-propyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-1977 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-1-propyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 382.77 |
| Molecular Formula: | C17 H14 Cl F3 N4 O |
| Smiles: | CCCn1c2ccc(cc2nn1)C(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5238 |
| logD: | 3.9242 |
| logSw: | -4.6543 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.006 |
| InChI Key: | WFPGJVSZMCKWDJ-UHFFFAOYSA-N |