N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
Formula:C22H19N4O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide |
| MolecularFormula | C22H19N4O3Br |
| Smiles | O=C(CNC(c1ccncc1)=O)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C22H19BrN4O3/c23-19-6-7-20(30-15-16-4-2-1-3-5-16)18(12-19)13-26-27-21(28)14-25-22(29)17-8-10-24-11-9-17/h1-13H,14-15H2,(H,25,29)(H,27,28) |
| InChIK | GRTCXQNYBPLIMF-UHFFFAOYSA-N |
| TotalMolweight | 467.322 |
| Molweight | 467.322 |
| MonoisotopicMass | 466.064052 |
| CLogP | 3.3577 |
| CLogS | -4.868 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 330.87 |
| Relative PSA | 0.24626 |
| PolarSurfaceArea | 92.68 |
| Druglikeness | 3.2338 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide | 2 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
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