[4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C28H20N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C28H20N3O4ClS |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C28H20ClN3O4S/c29-22-12-10-21(11-13-22)28(35)36-23-14-8-19(9-15-23)18-30-32-27(34)25(17-24-7-4-16-37-24)31-26(33)20-5-2-1-3-6-20/h1-18H,(H,31,33)(H,32,34) |
| InChIK | CMHXSAGMYIJMPN-UHFFFAOYSA-N |
| TotalMolweight | 530.003 |
| Molweight | 530.003 |
| MonoisotopicMass | 529.086304 |
| CLogP | 6.7214 |
| CLogS | -7.682 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 399.54 |
| Relative PSA | 0.26007 |
| PolarSurfaceArea | 125.1 |
| Druglikeness | 7.4258 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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