N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[(2-phenoxyacetyl)amino]acetamide
Formula:C19H18N3O3Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[(2-phenoxyacetyl)amino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[(2-phenoxyacetyl)amino]acetamide |
| MolecularFormula | C19H18N3O3Br |
| Smiles | O=C(CNC(COc1ccccc1)=O)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C19H18BrN3O3/c20-16(11-15-7-3-1-4-8-15)12-22-23-18(24)13-21-19(25)14-26-17-9-5-2-6-10-17/h1-12H,13-14H2,(H,21,25)(H,23,24) |
| InChIK | ACCNGYBWYJFIPX-UHFFFAOYSA-N |
| TotalMolweight | 416.274 |
| Molweight | 416.274 |
| MonoisotopicMass | 415.053153 |
| CLogP | 2.4711 |
| CLogS | -4.393 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 297.06 |
| Relative PSA | 0.23736 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 0.11914 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[(2-phenoxyacetyl)amino]acetamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[(2-phenoxyacetyl)amino]acetamide
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