2-phenyl-N-[(Z)-[(1S,2S,4S,5S)-5-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]acetamide
Formula:C17H19N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenyl-N-[(Z)-[(1S,2S,4S,5S)-5-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-[(1S,2S,4S,5S)-5-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]acetamide |
| MolecularFormula | C17H19N2OF3 |
| Smiles | O=C(Cc1ccccc1)N/N=C\[C@@H](C[C@@H]1C2)[C@@H]2C[C@@H]1C(F)(F)F |
| InChI | InChI=1S/C17H19F3N2O/c18-17(19,20)15-9-12-7-13(15)8-14(12)10-21-22-16(23)6-11-4-2-1-3-5-11/h1-5,10,12-15H,6-9H2,(H,22,23)/b21-10-/t12-,13-,14-,15-/m0/s1 |
| InChIK | JBSGHVMHMIFLDF-IFKOEZIJSA-N |
| TotalMolweight | 324.345 |
| Molweight | 324.345 |
| MonoisotopicMass | 324.144947 |
| CLogP | 3.4461 |
| CLogS | -4.8 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 234.73 |
| Relative PSA | 0.15341 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -2.2444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 2-phenyl-N-[(Z)-[(1S,2S,4S,5S)-5-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]acetamide | 2 - 2-phenyl-N-[(Z)-[(1S,2S,4S,5S)-5-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off