N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
Formula:C25H25N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide |
| MolecularFormula | C25H25N5O3 |
| Smiles | [O-][N+](c1c(/C=N\NC(c2ccc(CN(CC3)CCN3c3ccccc3)cc2)=O)cccc1)=O |
| InChI | InChI=1S/C25H25N5O3/c31-25(27-26-18-22-6-4-5-9-24(22)30(32)33)21-12-10-20(11-13-21)19-28-14-16-29(17-15-28)23-7-2-1-3-8-23/h1-13,18H,14-17,19H2,(H,27,31) |
| InChIK | CKPMGNPMTZEQJI-UHFFFAOYSA-N |
| TotalMolweight | 443.506 |
| Molweight | 443.506 |
| MonoisotopicMass | 443.19574 |
| CLogP | 2.55 |
| CLogS | -5.109 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 346.32 |
| Relative PSA | 0.21232 |
| PolarSurfaceArea | 93.76 |
| Druglikeness | 3.8025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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