4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide
Formula:C29H24N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C29H24N4O4S |
| Smiles | N#CCOc1ccc(/C=N\NC(c2ccc(CN(c3ccccc3)S(c3ccccc3)(=O)=O)cc2)=O)cc1 |
| InChI | InChI=1S/C29H24N4O4S/c30-19-20-37-27-17-13-23(14-18-27)21-31-32-29(34)25-15-11-24(12-16-25)22-33(26-7-3-1-4-8-26)38(35,36)28-9-5-2-6-10-28/h1-18,21H,20,22H2,(H,32,34) |
| InChIK | KNAOAHUYTGIVEF-UHFFFAOYSA-N |
| TotalMolweight | 524.6 |
| Molweight | 524.6 |
| MonoisotopicMass | 524.151826 |
| CLogP | 4.4059 |
| CLogS | -6.953 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 404.62 |
| Relative PSA | 0.22663 |
| PolarSurfaceArea | 120.24 |
| Druglikeness | -7.514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60526 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
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1 - 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide | 2 - 4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide
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