N-[(E)-3-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Formula:C21H15N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(E)-3-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-3-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C21H15N3O2Cl2S |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C21H15Cl2N3O2S/c22-17-9-4-10-18(23)16(17)13-24-26-21(28)19(12-15-8-5-11-29-15)25-20(27)14-6-2-1-3-7-14/h1-13H,(H,25,27)(H,26,28) |
| InChIK | PVEOPHGPQHCEQK-UHFFFAOYSA-N |
| TotalMolweight | 444.341 |
| Molweight | 444.341 |
| MonoisotopicMass | 443.026201 |
| CLogP | 5.8969 |
| CLogS | -6.948 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 327.45 |
| Relative PSA | 0.24697 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 7.6114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-3-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off