N,N'-bis[(Z)-2-phenylethylideneamino]butanediamide
Formula:C20H22N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-2-phenylethylideneamino]butanediamide is a drug-like molecule.
| MolName | N,N'-bis[(Z)-2-phenylethylideneamino]butanediamide |
| MolecularFormula | C20H22N4O2 |
| Smiles | O=C(CCC(N/N=C\Cc1ccccc1)=O)N/N=C\Cc1ccccc1 |
| InChI | InChI=1S/C20H22N4O2/c25-19(23-21-15-13-17-7-3-1-4-8-17)11-12-20(26)24-22-16-14-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,23,25)(H,24,26) |
| InChIK | IJJSKVHUJCWZGQ-UHFFFAOYSA-N |
| TotalMolweight | 350.421 |
| Molweight | 350.421 |
| MonoisotopicMass | 350.174276 |
| CLogP | 2.8216 |
| CLogS | -4.432 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 296 |
| Relative PSA | 0.24331 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 3.0152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 15 |
| StereoCon |
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1 - N,N'-bis[(Z)-2-phenylethylideneamino]butanediamide | 2 - N,N'-bis[(Z)-2-phenylethylideneamino]butanediamide
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