N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
Formula:C24H22N3O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide |
| MolecularFormula | C24H22N3O3Br |
| Smiles | O=C(Cc1ccccc1)NCC(N/N=C\c(cc(cc1)Br)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C24H22BrN3O3/c25-21-11-12-22(31-17-19-9-5-2-6-10-19)20(14-21)15-27-28-24(30)16-26-23(29)13-18-7-3-1-4-8-18/h1-12,14-15H,13,16-17H2,(H,26,29)(H,28,30) |
| InChIK | JSORDFSTDZYKIL-UHFFFAOYSA-N |
| TotalMolweight | 480.361 |
| Molweight | 480.361 |
| MonoisotopicMass | 479.084453 |
| CLogP | 4.3567 |
| CLogS | -5.628 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 345.87 |
| Relative PSA | 0.20386 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.3588 |
| Mutagenic | high |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide | 2 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
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