| MolName | N,N'-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanediamide |
| MolecularFormula | C32H30N4O4 |
| Smiles | O=C(CCC(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C32H30N4O4/c37-31(35-33-21-25-11-15-29(16-12-25)39-23-27-7-3-1-4-8-27)19-20-32(38)36-34-22-26-13-17-30(18-14-26)40-24-28-9-5-2-6-10-28/h1-18,21-22H,19-20,23-24H2,(H,35,37)(H,36,38) |
| InChIK | DCQCVVWVDUKNGO-UHFFFAOYSA-N |
| TotalMolweight | 534.614 |
| Molweight | 534.614 |
| MonoisotopicMass | 534.226706 |
| CLogP | 6.1434 |
| CLogS | -7.34 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 435.52 |
| Relative PSA | 0.21129 |
| PolarSurfaceArea | 101.38 |
| Druglikeness | 2.7177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 13 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 24 |
| StereoCon |
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1 - N,N'-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanediamide | 2 - N,N'-bis[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanediamide