N-[(Z)-[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
Formula:C22H19N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H19N2O3Br |
| Smiles | O=C(c1ccccc1)N/N=C\c(cc1)ccc1OCCOc(cc1)ccc1Br |
| InChI | InChI=1S/C22H19BrN2O3/c23-19-8-12-21(13-9-19)28-15-14-27-20-10-6-17(7-11-20)16-24-25-22(26)18-4-2-1-3-5-18/h1-13,16H,14-15H2,(H,25,26) |
| InChIK | YJLHHTCQALGQRX-UHFFFAOYSA-N |
| TotalMolweight | 439.308 |
| Molweight | 439.308 |
| MonoisotopicMass | 438.057904 |
| CLogP | 5.2818 |
| CLogS | -5.823 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 312.9 |
| Relative PSA | 0.179 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -4.6495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide | 2 - N-[(Z)-[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
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