4-(2-anilino-2-oxoethoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
Formula:C22H18N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(2-anilino-2-oxoethoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(2-anilino-2-oxoethoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C22H18N4O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c(cc2)ccc2OCC(Nc2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C22H18N4O5/c27-21(24-18-4-2-1-3-5-18)15-31-20-12-8-17(9-13-20)22(28)25-23-14-16-6-10-19(11-7-16)26(29)30/h1-14H,15H2,(H,24,27)(H,25,28) |
| InChIK | FDNHGIWPVKXMMX-UHFFFAOYSA-N |
| TotalMolweight | 418.408 |
| Molweight | 418.408 |
| MonoisotopicMass | 418.127721 |
| CLogP | 3.0024 |
| CLogS | -5.473 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 323.39 |
| Relative PSA | 0.3121 |
| PolarSurfaceArea | 125.61 |
| Druglikeness | -0.43976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-(2-anilino-2-oxoethoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide | 2 - 4-(2-anilino-2-oxoethoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
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