N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide
Formula:C28H28N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide |
| MolecularFormula | C28H28N4O |
| Smiles | O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C28H28N4O/c33-28(21-32-16-14-31(15-17-32)20-22-8-2-1-3-9-22)30-29-19-27-25-12-6-4-10-23(25)18-24-11-5-7-13-26(24)27/h1-13,18-19H,14-17,20-21H2,(H,30,33) |
| InChIK | ACNWGXOTSPYQLU-UHFFFAOYSA-N |
| TotalMolweight | 436.557 |
| Molweight | 436.557 |
| MonoisotopicMass | 436.226311 |
| CLogP | 4.9366 |
| CLogS | -5.778 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 345.85 |
| Relative PSA | 0.12465 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 9.3083 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 8 |
| Symmetricatoms | 10 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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