1-{2-[(2,6-dimethylphenyl)imino]-3-methyl-3-(pyridin-2-yl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-2,2,2-trifluoroethan-1-one
Chemical Structure Depiction of
1-{2-[(2,6-dimethylphenyl)imino]-3-methyl-3-(pyridin-2-yl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-2,2,2-trifluoroethan-1-one
1-{2-[(2,6-dimethylphenyl)imino]-3-methyl-3-(pyridin-2-yl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-2,2,2-trifluoroethan-1-one
Compound characteristics
| Compound ID: | C169-0345 |
| Compound Name: | 1-{2-[(2,6-dimethylphenyl)imino]-3-methyl-3-(pyridin-2-yl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-2,2,2-trifluoroethan-1-one |
| Molecular Weight: | 439.44 |
| Molecular Formula: | C24 H20 F3 N3 O2 |
| Smiles: | Cc1cccc(C)c1/N=C1/C(C)(c2ccccn2)N(C(C(F)(F)F)=O)c2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8072 |
| logD: | 4.8071 |
| logSw: | -4.7255 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.995 |
| InChI Key: | BTVFTQFAISVIFA-ZYPBBJIESA-N |