| MolName | 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]benzamide |
| MolecularFormula | C16H14N4O2F6 |
| Smiles | CCOc(cccc1)c1C(NC(C(F)(F)F)(C(F)(F)F)Nc1ncccn1)=O |
| InChI | InChI=1S/C16H14F6N4O2/c1-2-28-11-7-4-3-6-10(11)12(27)25-14(15(17,18)19,16(20,21)22)26-13-23-8-5-9-24-13/h3-9H,2H2,1H3,(H,25,27)(H,23,24,26) |
| InChIK | CXQDPMAKEBUCJN-UHFFFAOYSA-N |
| TotalMolweight | 408.301 |
| Molweight | 408.301 |
| MonoisotopicMass | 408.102094 |
| CLogP | 3.5118 |
| CLogS | -4.546 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 276.56 |
| Relative PSA | 0.24552 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -9.8234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]benzamide | 2 - 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]benzamide