N'-[(Z)-[4-[(Z)-[(4-anilino-4-oxobutanoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-phenylbutanediamide
Formula:C28H28N6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-[(Z)-[(4-anilino-4-oxobutanoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-phenylbutanediamide is not a drug-like molecule.
| MolName | N'-[(Z)-[4-[(Z)-[(4-anilino-4-oxobutanoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-phenylbutanediamide |
| MolecularFormula | C28H28N6O4 |
| Smiles | O=C(CCC(N/N=C\c1ccc(/C=N\NC(CCC(Nc2ccccc2)=O)=O)cc1)=O)Nc1ccccc1 |
| InChI | InChI=1S/C28H28N6O4/c35-25(31-23-7-3-1-4-8-23)15-17-27(37)33-29-19-21-11-13-22(14-12-21)20-30-34-28(38)18-16-26(36)32-24-9-5-2-6-10-24/h1-14,19-20H,15-18H2,(H,31,35)(H,32,36)(H,33,37)(H,34,38) |
| InChIK | HNLQCENVVQRLEE-UHFFFAOYSA-N |
| TotalMolweight | 512.568 |
| Molweight | 512.568 |
| MonoisotopicMass | 512.217204 |
| CLogP | 4.4458 |
| CLogS | -6.514 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 414.18 |
| Relative PSA | 0.29219 |
| PolarSurfaceArea | 141.12 |
| Druglikeness | 3.585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 12 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 22 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[4-[(Z)-[(4-anilino-4-oxobutanoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-phenylbutanediamide | 2 - N'-[(Z)-[4-[(Z)-[(4-anilino-4-oxobutanoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-phenylbutanediamide
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