N-benzyl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanediamide
Formula:C25H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanediamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanediamide |
| MolecularFormula | C25H25N3O3 |
| Smiles | O=C(CCC(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)NCc1ccccc1 |
| InChI | InChI=1S/C25H25N3O3/c29-24(26-17-20-7-3-1-4-8-20)15-16-25(30)28-27-18-21-11-13-23(14-12-21)31-19-22-9-5-2-6-10-22/h1-14,18H,15-17,19H2,(H,26,29)(H,28,30) |
| InChIK | LYIPXYSIVBAPEO-UHFFFAOYSA-N |
| TotalMolweight | 415.492 |
| Molweight | 415.492 |
| MonoisotopicMass | 415.189592 |
| CLogP | 4.1102 |
| CLogS | -5.222 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 341 |
| Relative PSA | 0.20677 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.7076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74194 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-benzyl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanediamide | 2 - N-benzyl-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanediamide
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