3-bromo-N-[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Formula:C23H20N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C23H20N3O3Br |
| Smiles | O=C(CNC(c1cccc(Br)c1)=O)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C23H20BrN3O3/c24-20-8-4-7-19(13-20)23(29)25-15-22(28)27-26-14-17-9-11-21(12-10-17)30-16-18-5-2-1-3-6-18/h1-14H,15-16H2,(H,25,29)(H,27,28) |
| InChIK | ORFJJHPEAWKYEB-UHFFFAOYSA-N |
| TotalMolweight | 466.334 |
| Molweight | 466.334 |
| MonoisotopicMass | 465.068803 |
| CLogP | 4.3586 |
| CLogS | -5.663 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 332.11 |
| Relative PSA | 0.21231 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.2338 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-bromo-N-[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide | 2 - 3-bromo-N-[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
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