N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
Formula:C24H22N3O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide |
| MolecularFormula | C24H22N3O4Br |
| Smiles | O=C(CNC(COc1ccccc1)=O)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C24H22BrN3O4/c25-20-11-12-22(32-16-18-7-3-1-4-8-18)19(13-20)14-27-28-23(29)15-26-24(30)17-31-21-9-5-2-6-10-21/h1-14H,15-17H2,(H,26,30)(H,28,29) |
| InChIK | SXIAYJRRGUWZOS-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 | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| 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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