N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide
Formula:C22H18N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide is not a drug-like molecule.
| MolName | N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide |
| MolecularFormula | C22H18N2O2Cl2S |
| Smiles | O=C(COc1c(CSc(cc2)ccc2Cl)cccc1)N/N=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H18Cl2N2O2S/c23-18-7-5-16(6-8-18)13-25-26-22(27)14-28-21-4-2-1-3-17(21)15-29-20-11-9-19(24)10-12-20/h1-13H,14-15H2,(H,26,27) |
| InChIK | CAMWZQWVFSPKLL-UHFFFAOYSA-N |
| TotalMolweight | 445.369 |
| Molweight | 445.369 |
| MonoisotopicMass | 444.046602 |
| CLogP | 5.9499 |
| CLogS | -7.402 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 332.6 |
| Relative PSA | 0.19092 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 4.5598 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide | 2 - N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide
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