[2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] furan-2-carboxylate
Formula:C26H17N3O5Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] furan-2-carboxylate |
| MolecularFormula | C26H17N3O5Br2S |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccco1)=O |
| InChI | InChI=1S/C26H17Br2N3O5S/c27-18-12-17(23(20(28)13-18)36-26(34)22-9-4-10-35-22)15-29-31-25(33)21(14-19-8-5-11-37-19)30-24(32)16-6-2-1-3-7-16/h1-15H,(H,30,32)(H,31,33) |
| InChIK | BZJLIWXKKKSGGK-UHFFFAOYSA-N |
| TotalMolweight | 643.311 |
| Molweight | 643.311 |
| MonoisotopicMass | 640.925564 |
| CLogP | 6.7545 |
| CLogS | -8.296 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 411.07 |
| Relative PSA | 0.2871 |
| PolarSurfaceArea | 138.24 |
| Druglikeness | 5.3543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] furan-2-carboxylate | 2 - [2-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] furan-2-carboxylate
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