N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C24H19N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C24H19N2O3Br |
| Smiles | C#CCOc(ccc(/C=N\NC(C(c1ccccc1)(c1ccccc1)O)=O)c1)c1Br |
| InChI | InChI=1S/C24H19BrN2O3/c1-2-15-30-22-14-13-18(16-21(22)25)17-26-27-23(28)24(29,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h1,3-14,16-17,29H,15H2,(H,27,28) |
| InChIK | HUWPDYLLJICEQC-UHFFFAOYSA-N |
| TotalMolweight | 463.33 |
| Molweight | 463.33 |
| MonoisotopicMass | 462.057904 |
| CLogP | 4.1643 |
| CLogS | -5.903 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 329.71 |
| Relative PSA | 0.17928 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 3.3656 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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