N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-1H-benzotriazole-5-carboxamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0407 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 368.74 |
| Molecular Formula: | C16 H12 Cl F3 N4 O |
| Smiles: | CCn1c2ccc(cc2nn1)C(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9431 |
| logD: | 3.3435 |
| logSw: | -4.4465 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.752 |
| InChI Key: | VQUPWRADMJBLTF-UHFFFAOYSA-N |