N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-diphenoxyacetamide
Formula:C21H17N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-diphenoxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-diphenoxyacetamide |
| MolecularFormula | C21H17N2O3Br |
| Smiles | O=C(C(Oc1ccccc1)Oc1ccccc1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C21H17BrN2O3/c22-17-9-7-8-16(14-17)15-23-24-20(25)21(26-18-10-3-1-4-11-18)27-19-12-5-2-6-13-19/h1-15,21H,(H,24,25) |
| InChIK | SLEALDBPQOIJFN-UHFFFAOYSA-N |
| TotalMolweight | 425.281 |
| Molweight | 425.281 |
| MonoisotopicMass | 424.042254 |
| CLogP | 4.7394 |
| CLogS | -5.606 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.88 |
| Relative PSA | 0.18803 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.7135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-diphenoxyacetamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-diphenoxyacetamide
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