4-anilino-N-[(Z)-(3-phenoxyphenyl)methylideneamino]butanamide
Formula:C23H23N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-anilino-N-[(Z)-(3-phenoxyphenyl)methylideneamino]butanamide is a drug-like molecule.
| MolName | 4-anilino-N-[(Z)-(3-phenoxyphenyl)methylideneamino]butanamide |
| MolecularFormula | C23H23N3O2 |
| Smiles | O=C(CCCNc1ccccc1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C23H23N3O2/c27-23(15-8-16-24-20-10-3-1-4-11-20)26-25-18-19-9-7-14-22(17-19)28-21-12-5-2-6-13-21/h1-7,9-14,17-18,24H,8,15-16H2,(H,26,27) |
| InChIK | HWAKXJKBAYHHBN-UHFFFAOYSA-N |
| TotalMolweight | 373.455 |
| Molweight | 373.455 |
| MonoisotopicMass | 373.179027 |
| CLogP | 4.7979 |
| CLogS | -6.38 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 309.49 |
| Relative PSA | 0.18569 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 4.0202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-anilino-N-[(Z)-(3-phenoxyphenyl)methylideneamino]butanamide | 2 - 4-anilino-N-[(Z)-(3-phenoxyphenyl)methylideneamino]butanamide
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