4-oxo-N-phenyl-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide
Formula:C19H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-oxo-N-phenyl-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide is a drug-like molecule.
| MolName | 4-oxo-N-phenyl-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide |
| MolecularFormula | C19H19N3O3 |
| Smiles | O=C(CCC(NNC(/C=C/c1ccccc1)=O)=O)Nc1ccccc1 |
| InChI | InChI=1S/C19H19N3O3/c23-17(20-16-9-5-2-6-10-16)13-14-19(25)22-21-18(24)12-11-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,20,23)(H,21,24)(H,22,25) |
| InChIK | NGNXQLBNWKTVEX-UHFFFAOYSA-N |
| TotalMolweight | 337.378 |
| Molweight | 337.378 |
| MonoisotopicMass | 337.142642 |
| CLogP | 1.7979 |
| CLogS | -4.024 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 274.67 |
| Relative PSA | 0.26759 |
| PolarSurfaceArea | 87.3 |
| Druglikeness | 0.069002 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - 4-oxo-N-phenyl-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide | 2 - 4-oxo-N-phenyl-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide
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