N-[2-chloro-4-(trifluoromethyl)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Chemical Structure Depiction of
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Compound characteristics
| Compound ID: | Y040-8742 |
| Compound Name: | N-[2-chloro-4-(trifluoromethyl)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide |
| Molecular Weight: | 410.78 |
| Molecular Formula: | C18 H14 Cl F3 N4 O2 |
| Smiles: | C(CC(Nc1ccc(cc1[Cl])C(F)(F)F)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2768 |
| logD: | 3.2765 |
| logSw: | -3.9164 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.363 |
| InChI Key: | MLFZDRAPKWOEGH-UHFFFAOYSA-N |