N-(3-chlorophenyl)-2-[4-[(Z)-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
Formula:C24H21N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-2-[4-[(Z)-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide is not a drug-like molecule.
| MolName | N-(3-chlorophenyl)-2-[4-[(Z)-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C24H21N3O3Cl2S |
| Smiles | O=C(COc1ccc(/C=N\NC(CSCc2cc(Cl)ccc2)=O)cc1)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C24H21Cl2N3O3S/c25-19-4-1-3-18(11-19)15-33-16-24(31)29-27-13-17-7-9-22(10-8-17)32-14-23(30)28-21-6-2-5-20(26)12-21/h1-13H,14-16H2,(H,28,30)(H,29,31) |
| InChIK | YSYVYVLFZFDKAS-UHFFFAOYSA-N |
| TotalMolweight | 502.421 |
| Molweight | 502.421 |
| MonoisotopicMass | 501.068066 |
| CLogP | 5.3256 |
| CLogS | -7.271 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 375.57 |
| Relative PSA | 0.23431 |
| PolarSurfaceArea | 105.09 |
| Druglikeness | 5.0383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(3-chlorophenyl)-2-[4-[(Z)-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide | 2 - N-(3-chlorophenyl)-2-[4-[(Z)-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
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