N-benzyl-4-oxo-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide
Formula:C20H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-4-oxo-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide is a drug-like molecule.
| MolName | N-benzyl-4-oxo-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide |
| MolecularFormula | C20H21N3O3 |
| Smiles | O=C(CCC(NNC(/C=C/c1ccccc1)=O)=O)NCc1ccccc1 |
| InChI | InChI=1S/C20H21N3O3/c24-18(21-15-17-9-5-2-6-10-17)13-14-20(26)23-22-19(25)12-11-16-7-3-1-4-8-16/h1-12H,13-15H2,(H,21,24)(H,22,25)(H,23,26) |
| InChIK | OXJNHQHCYWKQHS-UHFFFAOYSA-N |
| TotalMolweight | 351.405 |
| Molweight | 351.405 |
| MonoisotopicMass | 351.158292 |
| CLogP | 1.5073 |
| CLogS | -3.84 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 288.43 |
| Relative PSA | 0.25483 |
| PolarSurfaceArea | 87.3 |
| Druglikeness | 0.5199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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