N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
Formula:C25H24N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide |
| MolecularFormula | C25H24N4OCl2 |
| Smiles | O=C(c1ccc(CN(CC2)CCN2c2ccccc2)cc1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C25H24Cl2N4O/c26-22-11-10-21(24(27)16-22)17-28-29-25(32)20-8-6-19(7-9-20)18-30-12-14-31(15-13-30)23-4-2-1-3-5-23/h1-11,16-17H,12-15,18H2,(H,29,32) |
| InChIK | ZZOBZXXQXUFFIS-UHFFFAOYSA-N |
| TotalMolweight | 467.399 |
| Molweight | 467.399 |
| MonoisotopicMass | 466.132715 |
| CLogP | 5.6101 |
| CLogS | -6.121 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 353.49 |
| Relative PSA | 0.12196 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 8.9734 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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