N-phenyl-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide
Formula:C19H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-phenyl-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide is a drug-like molecule.
| MolName | N-phenyl-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide |
| MolecularFormula | C19H19N3O2 |
| Smiles | O=C(CCC(N/N=C\C=C\c1ccccc1)=O)Nc1ccccc1 |
| InChI | InChI=1S/C19H19N3O2/c23-18(21-17-11-5-2-6-12-17)13-14-19(24)22-20-15-7-10-16-8-3-1-4-9-16/h1-12,15H,13-14H2,(H,21,23)(H,22,24) |
| InChIK | LPLJVVMKXBFBHN-UHFFFAOYSA-N |
| TotalMolweight | 321.379 |
| Molweight | 321.379 |
| MonoisotopicMass | 321.147727 |
| CLogP | 3.071 |
| CLogS | -4.357 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 270.22 |
| Relative PSA | 0.22393 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.6617 |
| 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 | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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