2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
Formula:C20H21N4OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C20H21N4OCl3 |
| Smiles | O=C(CN1CCN(Cc(cc2)ccc2Cl)CC1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C20H21Cl3N4O/c21-17-4-1-15(2-5-17)13-26-7-9-27(10-8-26)14-20(28)25-24-12-16-3-6-18(22)19(23)11-16/h1-6,11-12H,7-10,13-14H2,(H,25,28) |
| InChIK | UBXXMIUAJQBQHE-UHFFFAOYSA-N |
| TotalMolweight | 439.773 |
| Molweight | 439.773 |
| MonoisotopicMass | 438.078092 |
| CLogP | 4.3658 |
| CLogS | -4.774 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 322.91 |
| Relative PSA | 0.1335 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 9.295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
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