(4E)-N,N-dibenzyl-6-oxo-6-phenyl-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]hexanamide
Formula:C33H33N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-N,N-dibenzyl-6-oxo-6-phenyl-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]hexanamide is not a drug-like molecule.
| MolName | (4E)-N,N-dibenzyl-6-oxo-6-phenyl-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]hexanamide |
| MolecularFormula | C33H33N4O3 |
| Smiles | O=C(C/C(/CCC(N(Cc1ccccc1)Cc1ccccc1)=O)=N/NC(C[n+]1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C33H32N4O3/c38-31(29-17-9-3-10-18-29)23-30(34-35-32(39)26-36-21-11-4-12-22-36)19-20-33(40)37(24-27-13-5-1-6-14-27)25-28-15-7-2-8-16-28/h1-18,21-22H,19-20,23-26H2/p+1 |
| InChIK | FOXODHDHPUGIGD-UHFFFAOYSA-O |
| TotalMolweight | 533.65 |
| Molweight | 533.65 |
| MonoisotopicMass | 533.255266 |
| CLogP | 0.2543 |
| CLogS | -4.899 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 430.38 |
| Relative PSA | 0.15893 |
| PolarSurfaceArea | 82.72 |
| Druglikeness | 4.6244 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.45 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 13 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 13 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4E)-N,N-dibenzyl-6-oxo-6-phenyl-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]hexanamide | 2 - (4E)-N,N-dibenzyl-6-oxo-6-phenyl-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]hexanamide
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