2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
Formula:C22H24N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C22H24N4OCl2 |
| Smiles | O=C(CN1CCN(Cc(cc2)ccc2Cl)CC1)N/N=C\C(\Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C22H24Cl2N4O/c23-20-8-6-19(7-9-20)16-27-10-12-28(13-11-27)17-22(29)26-25-15-21(24)14-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16-17H2,(H,26,29) |
| InChIK | OFUXLXFLYQCGPC-UHFFFAOYSA-N |
| TotalMolweight | 431.366 |
| Molweight | 431.366 |
| MonoisotopicMass | 430.132715 |
| CLogP | 3.6337 |
| CLogS | -4.285 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 332.2 |
| Relative PSA | 0.12977 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 9.3405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
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