N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-phenylbutanediamide
Formula:C23H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-phenylbutanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-phenylbutanediamide |
| MolecularFormula | C23H21N3O3 |
| Smiles | O=C(CCC(N/N=C\c1cc(Oc2ccccc2)ccc1)=O)Nc1ccccc1 |
| InChI | InChI=1S/C23H21N3O3/c27-22(25-19-9-3-1-4-10-19)14-15-23(28)26-24-17-18-8-7-13-21(16-18)29-20-11-5-2-6-12-20/h1-13,16-17H,14-15H2,(H,25,27)(H,26,28) |
| InChIK | RDUQUWAMZQRRCM-UHFFFAOYSA-N |
| TotalMolweight | 387.438 |
| Molweight | 387.438 |
| MonoisotopicMass | 387.158292 |
| CLogP | 4.4483 |
| CLogS | -6.362 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 313.48 |
| Relative PSA | 0.22493 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.5235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-phenylbutanediamide | 2 - N'-[(Z)-(3-phenoxyphenyl)methylideneamino]-N-phenylbutanediamide
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