[4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C26H19N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C26H19N3O5S |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c(cc1)ccc1OC(c1ccco1)=O |
| InChI | InChI=1S/C26H19N3O5S/c30-24(19-6-2-1-3-7-19)28-22(16-21-8-5-15-35-21)25(31)29-27-17-18-10-12-20(13-11-18)34-26(32)23-9-4-14-33-23/h1-17H,(H,28,30)(H,29,31) |
| InChIK | KCIBAPUHPLQJGE-UHFFFAOYSA-N |
| TotalMolweight | 485.519 |
| Molweight | 485.519 |
| MonoisotopicMass | 485.104542 |
| CLogP | 5.3041 |
| CLogS | -6.628 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 373.81 |
| Relative PSA | 0.31572 |
| PolarSurfaceArea | 138.24 |
| Druglikeness | 7.1443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
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