N-[(Z)-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylideneamino]-2-(4-chlorophenoxy)acetamide
Formula:C26H26N5O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylideneamino]-2-(4-chlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylideneamino]-2-(4-chlorophenoxy)acetamide |
| MolecularFormula | C26H26N5O4Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC(COc(cc1)ccc1Cl)=O)cc1)c1N1CCN(Cc2ccccc2)CC1)=O |
| InChI | InChI=1S/C26H26ClN5O4/c27-22-7-9-23(10-8-22)36-19-26(33)29-28-17-21-6-11-24(25(16-21)32(34)35)31-14-12-30(13-15-31)18-20-4-2-1-3-5-20/h1-11,16-17H,12-15,18-19H2,(H,29,33) |
| InChIK | CMJCLLJCXPWRFQ-UHFFFAOYSA-N |
| TotalMolweight | 507.976 |
| Molweight | 507.976 |
| MonoisotopicMass | 507.167332 |
| CLogP | 2.7309 |
| CLogS | -5.625 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 385.5 |
| Relative PSA | 0.21668 |
| PolarSurfaceArea | 102.99 |
| Druglikeness | 3.54 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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