N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Formula:C28H19N3O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C28H19N3O5Cl2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C28H19Cl2N3O5/c29-21-8-4-7-20(26(21)30)23-12-10-19(38-23)15-31-33-28(35)22(32-27(34)18-5-2-1-3-6-18)13-17-9-11-24-25(14-17)37-16-36-24/h1-15H,16H2,(H,32,34)(H,33,35) |
| InChIK | XRNAFOLOXDWDKN-UHFFFAOYSA-N |
| TotalMolweight | 548.381 |
| Molweight | 548.381 |
| MonoisotopicMass | 547.070176 |
| CLogP | 7.0806 |
| CLogS | -9.109 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 401.22 |
| Relative PSA | 0.23583 |
| PolarSurfaceArea | 102.16 |
| Druglikeness | 8.0243 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
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