N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
Formula:C29H25N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide |
| MolecularFormula | C29H25N2O4Br |
| Smiles | O=C(COc(cc1)ccc1OCc1ccccc1)N/N=C\c(cccc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C29H25BrN2O4/c30-25-11-6-9-23(17-25)20-36-28-12-5-4-10-24(28)18-31-32-29(33)21-35-27-15-13-26(14-16-27)34-19-22-7-2-1-3-8-22/h1-18H,19-21H2,(H,32,33) |
| InChIK | HNCIRDCQWIDPDD-UHFFFAOYSA-N |
| TotalMolweight | 545.431 |
| Molweight | 545.431 |
| MonoisotopicMass | 544.099769 |
| CLogP | 6.1979 |
| CLogS | -7.017 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 396.42 |
| Relative PSA | 0.16652 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.4066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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