N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]-3-phenylpropanamide
Formula:C20H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]-3-phenylpropanamide |
| MolecularFormula | C20H21N3O2 |
| Smiles | O=C(CCc1ccccc1)NCC(N/N=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C20H21N3O2/c24-19(14-13-18-10-5-2-6-11-18)21-16-20(25)23-22-15-7-12-17-8-3-1-4-9-17/h1-12,15H,13-14,16H2,(H,21,24)(H,23,25) |
| InChIK | UPYCQZYCMGJNDG-UHFFFAOYSA-N |
| TotalMolweight | 335.406 |
| Molweight | 335.406 |
| MonoisotopicMass | 335.163377 |
| CLogP | 2.7561 |
| CLogS | -4.015 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 283.98 |
| Relative PSA | 0.21308 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.347 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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