2-benzamido-N-[(Z)-(4-nitrophenyl)methylideneamino]-4-phenylthiophene-3-carboxamide
Formula:C25H18N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzamido-N-[(Z)-(4-nitrophenyl)methylideneamino]-4-phenylthiophene-3-carboxamide is not a drug-like molecule.
| MolName | 2-benzamido-N-[(Z)-(4-nitrophenyl)methylideneamino]-4-phenylthiophene-3-carboxamide |
| MolecularFormula | C25H18N4O4S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2c(NC(c3ccccc3)=O)scc2-c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C25H18N4O4S/c30-23(19-9-5-2-6-10-19)27-25-22(21(16-34-25)18-7-3-1-4-8-18)24(31)28-26-15-17-11-13-20(14-12-17)29(32)33/h1-16H,(H,27,30)(H,28,31) |
| InChIK | CLUWDBHUQVVNQU-UHFFFAOYSA-N |
| TotalMolweight | 470.508 |
| Molweight | 470.508 |
| MonoisotopicMass | 470.104876 |
| CLogP | 5.0607 |
| CLogS | -7.829 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 355.33 |
| Relative PSA | 0.3132 |
| PolarSurfaceArea | 144.62 |
| Druglikeness | 1.238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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