[4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H21N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H21N3O4S |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C28H21N3O4S/c32-26(21-8-3-1-4-9-21)30-25(18-24-12-7-17-36-24)27(33)31-29-19-20-13-15-23(16-14-20)35-28(34)22-10-5-2-6-11-22/h1-19H,(H,30,32)(H,31,33) |
| InChIK | MATZHVMTRBTCBZ-UHFFFAOYSA-N |
| TotalMolweight | 495.558 |
| Molweight | 495.558 |
| MonoisotopicMass | 495.125277 |
| CLogP | 6.1154 |
| CLogS | -6.946 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 384.12 |
| Relative PSA | 0.27051 |
| PolarSurfaceArea | 125.1 |
| Druglikeness | 7.3822 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] benzoate
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