N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
Formula:C33H24N4OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide |
| MolecularFormula | C33H24N4OS |
| Smiles | O=C(c1cc(-c2cccs2)nc2ccccc12)N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C33H24N4OS/c38-33(29-22-31(32-16-9-21-39-32)35-30-15-8-7-14-28(29)30)36-34-23-24-17-19-27(20-18-24)37(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-23H,(H,36,38) |
| InChIK | NEKSLYXRURYNRF-UHFFFAOYSA-N |
| TotalMolweight | 524.647 |
| Molweight | 524.647 |
| MonoisotopicMass | 524.167081 |
| CLogP | 7.8857 |
| CLogS | -10.302 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 405.87 |
| Relative PSA | 0.17466 |
| PolarSurfaceArea | 85.83 |
| Druglikeness | 6.513 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48718 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 33 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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