7-methyl-3-oxo-2-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl acetate
Chemical Structure Depiction of
7-methyl-3-oxo-2-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl acetate
7-methyl-3-oxo-2-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl acetate
Compound characteristics
| Compound ID: | 8013-3042 |
| Compound Name: | 7-methyl-3-oxo-2-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl acetate |
| Molecular Weight: | 289.21 |
| Molecular Formula: | C12 H10 F3 N O4 |
| Smiles: | CC(=O)OC1(C(Nc2ccc(C)cc2O1)=O)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3735 |
| logD: | 2.3735 |
| logSw: | -2.9021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.047 |
| InChI Key: | JOSVKKBBHYUNGE-LLVKDONJSA-N |