N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
Formula:C20H21N4OCl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide |
| MolecularFormula | C20H21N4OCl2F |
| Smiles | O=C(CN1CCN(Cc(cc2)ccc2Cl)CC1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C20H21Cl2FN4O/c21-16-6-4-15(5-7-16)13-26-8-10-27(11-9-26)14-20(28)25-24-12-17-18(22)2-1-3-19(17)23/h1-7,12H,8-11,13-14H2,(H,25,28) |
| InChIK | JSHJJMPFSDVDRV-UHFFFAOYSA-N |
| TotalMolweight | 423.318 |
| Molweight | 423.318 |
| MonoisotopicMass | 422.107643 |
| CLogP | 3.8606 |
| CLogS | -4.352 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 313.84 |
| Relative PSA | 0.13736 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 7.955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| 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 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
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