N-[(Z)-naphthalen-1-ylmethylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
Formula:C29H28N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide |
| MolecularFormula | C29H28N4O |
| Smiles | O=C(c1ccc(CN(CC2)CCN2c2ccccc2)cc1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C29H28N4O/c34-29(31-30-21-26-9-6-8-24-7-4-5-12-28(24)26)25-15-13-23(14-16-25)22-32-17-19-33(20-18-32)27-10-2-1-3-11-27/h1-16,21H,17-20,22H2,(H,31,34) |
| InChIK | VWYYUHOAROUAEF-UHFFFAOYSA-N |
| TotalMolweight | 448.568 |
| Molweight | 448.568 |
| MonoisotopicMass | 448.226311 |
| CLogP | 5.5925 |
| CLogS | -6.255 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 357.25 |
| Relative PSA | 0.12067 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 8.994 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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