N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
Formula:C36H28N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide |
| MolecularFormula | C36H28N4O2 |
| Smiles | O=C(c1ccc(COc2cccc3cccnc23)cc1)N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C36H28N4O2/c41-36(30-20-16-28(17-21-30)26-42-34-15-7-9-29-10-8-24-37-35(29)34)39-38-25-27-18-22-33(23-19-27)40(31-11-3-1-4-12-31)32-13-5-2-6-14-32/h1-25H,26H2,(H,39,41) |
| InChIK | CVUATVHVYPEHRA-UHFFFAOYSA-N |
| TotalMolweight | 548.644 |
| Molweight | 548.644 |
| MonoisotopicMass | 548.221226 |
| CLogP | 7.4601 |
| CLogS | -9.944 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 433.69 |
| Relative PSA | 0.13957 |
| PolarSurfaceArea | 66.82 |
| Druglikeness | 4.6358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 34 |
| Sp3Atoms | 2 |
| Symmetricatoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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