N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
Formula:C24H22N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide |
| MolecularFormula | C24H22N3O4Br |
| Smiles | O=C(CNC(COc1ccccc1)=O)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C24H22BrN3O4/c25-20-12-10-18(11-13-20)16-32-22-9-5-4-6-19(22)14-27-28-23(29)15-26-24(30)17-31-21-7-2-1-3-8-21/h1-14H,15-17H2,(H,26,30)(H,28,29) |
| InChIK | BUQJXEQICLYOIF-UHFFFAOYSA-N |
| TotalMolweight | 496.36 |
| Molweight | 496.36 |
| MonoisotopicMass | 495.079368 |
| CLogP | 3.9335 |
| CLogS | -5.443 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 355.87 |
| Relative PSA | 0.22623 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 3.3995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide | 2 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
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