N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
Formula:C25H21N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide |
| MolecularFormula | C25H21N2O4Br |
| Smiles | C#CCOc(cc1)cc(/C=N\NC(COc(cc2)ccc2OCc2ccccc2)=O)c1Br |
| InChI | InChI=1S/C25H21BrN2O4/c1-2-14-30-23-12-13-24(26)20(15-23)16-27-28-25(29)18-32-22-10-8-21(9-11-22)31-17-19-6-4-3-5-7-19/h1,3-13,15-16H,14,17-18H2,(H,28,29) |
| InChIK | VZUPNXXYCNLTNL-UHFFFAOYSA-N |
| TotalMolweight | 493.356 |
| Molweight | 493.356 |
| MonoisotopicMass | 492.068469 |
| CLogP | 4.807 |
| CLogS | -6.318 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 360.47 |
| Relative PSA | 0.18312 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.4262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide | 2 - N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
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