N-[(E)-3-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Formula:C30H24N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[(2Z)-2-[(1-benzylindol-3-yl)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-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C30H24N4O2S |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C30H24N4O2S/c35-29(23-12-5-2-6-13-23)32-27(18-25-14-9-17-37-25)30(36)33-31-19-24-21-34(20-22-10-3-1-4-11-22)28-16-8-7-15-26(24)28/h1-19,21H,20H2,(H,32,35)(H,33,36) |
| InChIK | OZCAIXTZNOVNNZ-UHFFFAOYSA-N |
| TotalMolweight | 504.613 |
| Molweight | 504.613 |
| MonoisotopicMass | 504.161996 |
| CLogP | 6.2146 |
| CLogS | -6.454 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 393.93 |
| Relative PSA | 0.22273 |
| PolarSurfaceArea | 103.73 |
| Druglikeness | 8.9096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-3-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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