N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole-5-carboxamide
Formula:C23H18N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole-5-carboxamide |
| MolecularFormula | C23H18N3OF3 |
| Smiles | O=C(c1cc(CN(C2)c3cccc(C(F)(F)F)c3)c2cc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H18F3N3O/c24-23(25,26)20-7-4-8-21(12-20)29-14-18-10-9-17(11-19(18)15-29)22(30)28-27-13-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,28,30) |
| InChIK | PFDGYWQHEPVOON-UHFFFAOYSA-N |
| TotalMolweight | 409.41 |
| Molweight | 409.41 |
| MonoisotopicMass | 409.140196 |
| CLogP | 4.5383 |
| CLogS | -6.095 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 300.53 |
| Relative PSA | 0.13163 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | -0.96075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole-5-carboxamide | 2 - N-[(Z)-benzylideneamino]-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off