N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
Formula:C25H23N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide |
| MolecularFormula | C25H23N2O3Br |
| Smiles | C=CCc(cccc1)c1OCC(N/N=C\c(cccc1)c1OCc1cccc(Br)c1)=O |
| InChI | InChI=1S/C25H23BrN2O3/c1-2-8-20-10-3-5-13-23(20)31-18-25(29)28-27-16-21-11-4-6-14-24(21)30-17-19-9-7-12-22(26)15-19/h2-7,9-16H,1,8,17-18H2,(H,28,29) |
| InChIK | QOLRQLDUYSIMSL-UHFFFAOYSA-N |
| TotalMolweight | 479.373 |
| Molweight | 479.373 |
| MonoisotopicMass | 478.089204 |
| CLogP | 5.8782 |
| CLogS | -6.388 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 351.2 |
| Relative PSA | 0.15948 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -0.38695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide | 2 - N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
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