N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
Formula:C20H24N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide |
| MolecularFormula | C20H24N4OCl2 |
| Smiles | O=C(C[NH+]1CC[NH+](Cc(cccc2)c2Cl)CC1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C20H22Cl2N4O/c21-18-7-3-1-5-16(18)13-23-24-20(27)15-26-11-9-25(10-12-26)14-17-6-2-4-8-19(17)22/h1-8,13H,9-12,14-15H2,(H,24,27)/p+2 |
| InChIK | VBEWWZRSQGDPSM-UHFFFAOYSA-P |
| TotalMolweight | 407.344 |
| Molweight | 407.344 |
| MonoisotopicMass | 406.132715 |
| CLogP | -0.4596 |
| CLogS | -4.038 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 335.57 |
| Relative PSA | 0.21215 |
| PolarSurfaceArea | 50.34 |
| Druglikeness | 4.0888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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