N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Formula:C31H24N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]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-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C31H24N3O5Cl |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c(cc1)ccc1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C31H24ClN3O5/c32-26-9-5-4-8-24(26)19-38-25-13-10-21(11-14-25)18-33-35-31(37)27(34-30(36)23-6-2-1-3-7-23)16-22-12-15-28-29(17-22)40-20-39-28/h1-18H,19-20H2,(H,34,36)(H,35,37) |
| InChIK | CSIXFMXGCHNKNC-UHFFFAOYSA-N |
| TotalMolweight | 554.001 |
| Molweight | 554.001 |
| MonoisotopicMass | 553.140449 |
| CLogP | 6.8838 |
| CLogS | -8.254 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 419.87 |
| Relative PSA | 0.21557 |
| PolarSurfaceArea | 98.25 |
| Druglikeness | 6.1111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.525 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
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