4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoate
Formula:C23H18N3O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoate is not a drug-like molecule.
| MolName | 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C23H18N3O5Cl2S |
| Smiles | [O-]C(c1ccc(/C=N\NC(CN(Cc(cccc2)c2Cl)S(c(cc2)ccc2Cl)(=O)=O)=O)cc1)=O |
| InChI | InChI=1S/C23H19Cl2N3O5S/c24-19-9-11-20(12-10-19)34(32,33)28(14-18-3-1-2-4-21(18)25)15-22(29)27-26-13-16-5-7-17(8-6-16)23(30)31/h1-13H,14-15H2,(H,27,29)(H,30,31)/p-1 |
| InChIK | GTVQYVJBYOYWAY-UHFFFAOYSA-M |
| TotalMolweight | 519.384 |
| Molweight | 519.384 |
| MonoisotopicMass | 518.034421 |
| CLogP | 2.1043 |
| CLogS | -5.43 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 369.27 |
| Relative PSA | 0.25851 |
| PolarSurfaceArea | 127.35 |
| Druglikeness | 5.9722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoate
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