N,N'-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pentanediamide
Formula:C33H32N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pentanediamide is not a drug-like molecule.
| MolName | N,N'-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pentanediamide |
| MolecularFormula | C33H32N4O4 |
| Smiles | O=C(CCCC(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C33H32N4O4/c38-32(36-34-22-26-14-18-30(19-15-26)40-24-28-8-3-1-4-9-28)12-7-13-33(39)37-35-23-27-16-20-31(21-17-27)41-25-29-10-5-2-6-11-29/h1-6,8-11,14-23H,7,12-13,24-25H2,(H,36,38)(H,37,39) |
| InChIK | ZNVNXWDBHROORP-UHFFFAOYSA-N |
| TotalMolweight | 548.641 |
| Molweight | 548.641 |
| MonoisotopicMass | 548.242356 |
| CLogP | 6.5978 |
| CLogS | -7.61 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 449.28 |
| Relative PSA | 0.20482 |
| PolarSurfaceArea | 101.38 |
| Druglikeness | -1.5804 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7561 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 14 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 7 |
| Symmetricatoms | 24 |
| StereoCon |
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1 - N,N'-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pentanediamide | 2 - N,N'-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pentanediamide
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