5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-2,1,4-benzoxadiazine
Chemical Structure Depiction of
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-2,1,4-benzoxadiazine
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-2,1,4-benzoxadiazine
Compound characteristics
| Compound ID: | 8020-4361 |
| Compound Name: | 5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-2,1,4-benzoxadiazine |
| Molecular Weight: | 292.26 |
| Molecular Formula: | C15 H11 F3 N2 O |
| Smiles: | Cc1cccc2c1N=C(c1ccc(cc1)C(F)(F)F)ON2 |
| Stereo: | ACHIRAL |
| logP: | 3.6325 |
| logD: | 3.6323 |
| logSw: | -3.7867 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.0564 |
| InChI Key: | RGKIMSPDUWAPSK-UHFFFAOYSA-N |