N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-phenylmethoxybenzamide
Formula:C25H19N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-phenylmethoxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-phenylmethoxybenzamide |
| MolecularFormula | C25H19N3O5 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c(cc2)ccc2OCc2ccccc2)=O)o1)=O |
| InChI | InChI=1S/C25H19N3O5/c29-25(20-8-12-22(13-9-20)32-17-18-4-2-1-3-5-18)27-26-16-23-14-15-24(33-23)19-6-10-21(11-7-19)28(30)31/h1-16H,17H2,(H,27,29) |
| InChIK | CPQHMEXYTYBFSB-UHFFFAOYSA-N |
| TotalMolweight | 441.442 |
| Molweight | 441.442 |
| MonoisotopicMass | 441.132472 |
| CLogP | 4.567 |
| CLogS | -6.982 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 343.63 |
| Relative PSA | 0.26348 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | 1.1836 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-phenylmethoxybenzamide | 2 - N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-phenylmethoxybenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off