N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,2-diphenoxyacetamide
Formula:C32H25N2O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,2-diphenoxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,2-diphenoxyacetamide |
| MolecularFormula | C32H25N2O4Br |
| Smiles | O=C(C(Oc1ccccc1)Oc1ccccc1)N/N=C\c(c1ccccc1cc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C32H25BrN2O4/c33-25-12-9-10-23(20-25)22-37-30-19-18-24-11-7-8-17-28(24)29(30)21-34-35-31(36)32(38-26-13-3-1-4-14-26)39-27-15-5-2-6-16-27/h1-21,32H,22H2,(H,35,36) |
| InChIK | PBFAWUAGTFBIGV-UHFFFAOYSA-N |
| TotalMolweight | 581.465 |
| Molweight | 581.465 |
| MonoisotopicMass | 580.099769 |
| CLogP | 7.2819 |
| CLogS | -8.553 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 416 |
| Relative PSA | 0.15868 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.4953 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 5 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,2-diphenoxyacetamide | 2 - N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,2-diphenoxyacetamide
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