N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
Formula:C23H19N2O2Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C23H19N2O2Br |
| Smiles | OC(C(N/N=C\C(\Br)=C\c1ccccc1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H19BrN2O2/c24-21(16-18-10-4-1-5-11-18)17-25-26-22(27)23(28,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,28H,(H,26,27) |
| InChIK | TVQQKIKLJKABGQ-UHFFFAOYSA-N |
| TotalMolweight | 435.32 |
| Molweight | 435.32 |
| MonoisotopicMass | 434.062989 |
| CLogP | 4.0928 |
| CLogS | -5.552 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 306.85 |
| Relative PSA | 0.16005 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 0.31405 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
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