N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C20H21N4O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C20H21N4O2F3 |
| Smiles | O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C20H21F3N4O2/c21-20(22,23)16-2-1-3-17(12-16)24-14-19(28)26-25-13-15-4-6-18(7-5-15)27-8-10-29-11-9-27/h1-7,12-13,24H,8-11,14H2,(H,26,28) |
| InChIK | UAPXIUVIAHZSKC-UHFFFAOYSA-N |
| TotalMolweight | 406.407 |
| Molweight | 406.407 |
| MonoisotopicMass | 406.16166 |
| CLogP | 3.0108 |
| CLogS | -4.424 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 303.51 |
| Relative PSA | 0.20105 |
| PolarSurfaceArea | 65.96 |
| Druglikeness | -1.7752 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off