3-(2-oxopyrrolidin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C20H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-oxopyrrolidin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 3-(2-oxopyrrolidin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C20H19N3O2 |
| Smiles | O=C(c1cccc(N(CCC2)C2=O)c1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C20H19N3O2/c24-19-12-6-14-23(19)18-11-4-10-17(15-18)20(25)22-21-13-5-9-16-7-2-1-3-8-16/h1-5,7-11,13,15H,6,12,14H2,(H,22,25) |
| InChIK | JACZASUELLOQBX-UHFFFAOYSA-N |
| TotalMolweight | 333.39 |
| Molweight | 333.39 |
| MonoisotopicMass | 333.147727 |
| CLogP | 3.1447 |
| CLogS | -4.717 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.32 |
| Relative PSA | 0.19531 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 5.9924 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-(2-oxopyrrolidin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide | 2 - 3-(2-oxopyrrolidin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
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