N-{[(2,3-dihydro-1,4-benzodioxin-6-yl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2,2,2-trifluoroacetamide
Chemical Structure Depiction of
N-{[(2,3-dihydro-1,4-benzodioxin-6-yl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2,2,2-trifluoroacetamide
N-{[(2,3-dihydro-1,4-benzodioxin-6-yl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2,2,2-trifluoroacetamide
Compound characteristics
| Compound ID: | Y021-1827 |
| Compound Name: | N-{[(2,3-dihydro-1,4-benzodioxin-6-yl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2,2,2-trifluoroacetamide |
| Molecular Weight: | 395.34 |
| Molecular Formula: | C17 H16 F3 N5 O3 |
| Smiles: | Cc1cc(C)nc(NC(/Nc2ccc3c(c2)OCCO3)=N/C(C(F)(F)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8026 |
| logD: | 1.2013 |
| logSw: | -2.3314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.942 |
| InChI Key: | UUNSQMYPLQZBSO-UHFFFAOYSA-N |