N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
Formula:C21H18N3O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide |
| MolecularFormula | C21H18N3O4Br |
| Smiles | O=C(CNC(c1ccco1)=O)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C21H18BrN3O4/c22-17-8-9-18(29-14-15-5-2-1-3-6-15)16(11-17)12-24-25-20(26)13-23-21(27)19-7-4-10-28-19/h1-12H,13-14H2,(H,23,27)(H,25,26) |
| InChIK | PAKUPYGEIFKNLE-UHFFFAOYSA-N |
| TotalMolweight | 456.295 |
| Molweight | 456.295 |
| MonoisotopicMass | 455.048068 |
| CLogP | 3.5473 |
| CLogS | -5.345 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 321.8 |
| Relative PSA | 0.26296 |
| PolarSurfaceArea | 92.93 |
| Druglikeness | 3.5208 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide | 2 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
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