[4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-2-nitrophenyl] furan-2-carboxylate
Formula:C26H18N4O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-2-nitrophenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-2-nitrophenyl] furan-2-carboxylate |
| MolecularFormula | C26H18N4O7S |
| Smiles | [O-][N+](c(cc(/C=N\NC(/C(/NC(c1ccccc1)=O)=C\c1cccs1)=O)cc1)c1OC(c1ccco1)=O)=O |
| InChI | InChI=1S/C26H18N4O7S/c31-24(18-6-2-1-3-7-18)28-20(15-19-8-5-13-38-19)25(32)29-27-16-17-10-11-22(21(14-17)30(34)35)37-26(33)23-9-4-12-36-23/h1-16H,(H,28,31)(H,29,32) |
| InChIK | KERJWEGJFUQXKD-UHFFFAOYSA-N |
| TotalMolweight | 530.516 |
| Molweight | 530.516 |
| MonoisotopicMass | 530.089621 |
| CLogP | 4.3825 |
| CLogS | -7.088 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 397.48 |
| Relative PSA | 0.37345 |
| PolarSurfaceArea | 184.06 |
| Druglikeness | 2.1691 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-2-nitrophenyl] furan-2-carboxylate | 2 - [4-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]-2-nitrophenyl] furan-2-carboxylate
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