N-[2-[(2Z)-2-[(2-bromo-5-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
Formula:C23H19N3O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(2-bromo-5-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-chlorobenzamide is not a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(2-bromo-5-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-chlorobenzamide |
| MolecularFormula | C23H19N3O3BrCl |
| Smiles | O=C(CNC(c1cc(Cl)ccc1)=O)N/N=C\c(cc(cc1)OCc2ccccc2)c1Br |
| InChI | InChI=1S/C23H19BrClN3O3/c24-21-10-9-20(31-15-16-5-2-1-3-6-16)12-18(21)13-27-28-22(29)14-26-23(30)17-7-4-8-19(25)11-17/h1-13H,14-15H2,(H,26,30)(H,28,29) |
| InChIK | JWZOPAOFEIECAR-UHFFFAOYSA-N |
| TotalMolweight | 500.779 |
| Molweight | 500.779 |
| MonoisotopicMass | 499.02983 |
| CLogP | 4.9646 |
| CLogS | -6.399 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 347.53 |
| Relative PSA | 0.20289 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.2744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(2-bromo-5-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-chlorobenzamide | 2 - N-[2-[(2Z)-2-[(2-bromo-5-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
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