N',N'-dibenzyl-N-[(Z)-(4-fluorophenyl)methylideneamino]butanediamide
Formula:C25H24N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N',N'-dibenzyl-N-[(Z)-(4-fluorophenyl)methylideneamino]butanediamide is a drug-like molecule.
| MolName | N',N'-dibenzyl-N-[(Z)-(4-fluorophenyl)methylideneamino]butanediamide |
| MolecularFormula | C25H24N3O2F |
| Smiles | O=C(CCC(N(Cc1ccccc1)Cc1ccccc1)=O)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C25H24FN3O2/c26-23-13-11-20(12-14-23)17-27-28-24(30)15-16-25(31)29(18-21-7-3-1-4-8-21)19-22-9-5-2-6-10-22/h1-14,17H,15-16,18-19H2,(H,28,30) |
| InChIK | MLGLBYITKZIIER-UHFFFAOYSA-N |
| TotalMolweight | 417.483 |
| Molweight | 417.483 |
| MonoisotopicMass | 417.185255 |
| CLogP | 4.5475 |
| CLogS | -5.156 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 336.19 |
| Relative PSA | 0.15646 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 3.932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 11 |
| Amides | 1 |
| StereoCon |
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1 - N',N'-dibenzyl-N-[(Z)-(4-fluorophenyl)methylideneamino]butanediamide | 2 - N',N'-dibenzyl-N-[(Z)-(4-fluorophenyl)methylideneamino]butanediamide
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