N-[(Z)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide
Formula:C26H18N4OS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide |
| MolecularFormula | C26H18N4OS2 |
| Smiles | O=C(c1cc(-c(cc2)ccc2/N=C/c2cccs2)nc2ccccc12)N/N=C\c1cccs1 |
| InChI | InChI=1S/C26H18N4OS2/c31-26(30-28-17-21-6-4-14-33-21)23-15-25(29-24-8-2-1-7-22(23)24)18-9-11-19(12-10-18)27-16-20-5-3-13-32-20/h1-17H,(H,30,31) |
| InChIK | QGZLACFZPOOXRR-UHFFFAOYSA-N |
| TotalMolweight | 466.588 |
| Molweight | 466.588 |
| MonoisotopicMass | 466.092201 |
| CLogP | 6.3748 |
| CLogS | -7.767 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 356.51 |
| Relative PSA | 0.27828 |
| PolarSurfaceArea | 123.19 |
| Druglikeness | 5.979 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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