N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-phenylacetamide
Formula:C19H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-phenylacetamide |
| MolecularFormula | C19H20N4O4 |
| Smiles | [O-][N+](c(cc(/C=N\NC(Cc1ccccc1)=O)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C19H20N4O4/c24-19(13-15-4-2-1-3-5-15)21-20-14-16-6-7-17(18(12-16)23(25)26)22-8-10-27-11-9-22/h1-7,12,14H,8-11,13H2,(H,21,24) |
| InChIK | XDRSFPGVPRNQQZ-UHFFFAOYSA-N |
| TotalMolweight | 368.392 |
| Molweight | 368.392 |
| MonoisotopicMass | 368.148456 |
| CLogP | 1.9471 |
| CLogS | -4.249 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 286.26 |
| Relative PSA | 0.2794 |
| PolarSurfaceArea | 99.75 |
| Druglikeness | 0.0099785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-phenylacetamide | 2 - N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-phenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off