N-[(2Z,4E)-1-oxo-5-phenyl-1-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide
Formula:C23H19N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2Z,4E)-1-oxo-5-phenyl-1-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(2Z,4E)-1-oxo-5-phenyl-1-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide |
| MolecularFormula | C23H19N3O2S |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C23H19N3O2S/c27-22(19-12-5-2-6-13-19)25-21(15-7-11-18-9-3-1-4-10-18)23(28)26-24-17-20-14-8-16-29-20/h1-17H,(H,25,27)(H,26,28) |
| InChIK | UPECTHKVVPFIKH-UHFFFAOYSA-N |
| TotalMolweight | 401.489 |
| Molweight | 401.489 |
| MonoisotopicMass | 401.119797 |
| CLogP | 5.3415 |
| CLogS | -5.788 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 323.11 |
| Relative PSA | 0.25029 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 7.6423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(2Z,4E)-1-oxo-5-phenyl-1-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide | 2 - N-[(2Z,4E)-1-oxo-5-phenyl-1-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off