N-[(Z)-[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
Formula:C28H23N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide |
| MolecularFormula | C28H23N2O4Br |
| Smiles | O=C(C(Oc1ccccc1)Oc1ccccc1)N/N=C\c1cccc(OCc2cccc(Br)c2)c1 |
| InChI | InChI=1S/C28H23BrN2O4/c29-23-11-7-10-22(17-23)20-33-26-16-8-9-21(18-26)19-30-31-27(32)28(34-24-12-3-1-4-13-24)35-25-14-5-2-6-15-25/h1-19,28H,20H2,(H,31,32) |
| InChIK | MMHFFOLUCHEVNK-UHFFFAOYSA-N |
| TotalMolweight | 531.405 |
| Molweight | 531.405 |
| MonoisotopicMass | 530.084119 |
| CLogP | 6.0875 |
| CLogS | -6.947 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 381.4 |
| Relative PSA | 0.17307 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.4953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 9 |
| StereoCon |
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