N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
Formula:C20H21N5O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide |
| MolecularFormula | C20H21N5O3Cl2 |
| Smiles | [O-][N+](c(cc(/C=N\NC(CN1CCN(Cc(cc2)ccc2Cl)CC1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C20H21Cl2N5O3/c21-17-4-1-15(2-5-17)13-25-7-9-26(10-8-25)14-20(28)24-23-12-16-3-6-18(22)19(11-16)27(29)30/h1-6,11-12H,7-10,13-14H2,(H,24,28) |
| InChIK | QZZDGCXIUCTWQT-UHFFFAOYSA-N |
| TotalMolweight | 450.325 |
| Molweight | 450.325 |
| MonoisotopicMass | 449.102144 |
| CLogP | 0.9852 |
| CLogS | -4.498 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 331.16 |
| Relative PSA | 0.22204 |
| PolarSurfaceArea | 93.76 |
| Druglikeness | 4.1423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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