N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide
Formula:C28H28N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide |
| MolecularFormula | C28H28N3O4F |
| Smiles | O=C(CNC(COc1cc(CCCC2)c2cc1)=O)N/N=C\c(cc1)ccc1OCc(cc1)ccc1F |
| InChI | InChI=1S/C28H28FN3O4/c29-24-10-5-21(6-11-24)18-35-25-12-7-20(8-13-25)16-31-32-27(33)17-30-28(34)19-36-26-14-9-22-3-1-2-4-23(22)15-26/h5-16H,1-4,17-19H2,(H,30,34)(H,32,33) |
| InChIK | FMEDVRBRTFTWMY-UHFFFAOYSA-N |
| TotalMolweight | 489.545 |
| Molweight | 489.545 |
| MonoisotopicMass | 489.206385 |
| CLogP | 4.4659 |
| CLogS | -6.015 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 385.13 |
| Relative PSA | 0.20905 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -1.4867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide | 2 - N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide
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