N-benzyl-N'-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
Formula:C23H20N3O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide |
| MolecularFormula | C23H20N3O3F |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OCc1cccc(F)c1)=O)NCc1ccccc1 |
| InChI | InChI=1S/C23H20FN3O3/c24-20-8-4-7-19(13-20)16-30-21-11-9-18(10-12-21)15-26-27-23(29)22(28)25-14-17-5-2-1-3-6-17/h1-13,15H,14,16H2,(H,25,28)(H,27,29) |
| InChIK | TVYUTATVQVJPSD-UHFFFAOYSA-N |
| TotalMolweight | 405.428 |
| Molweight | 405.428 |
| MonoisotopicMass | 405.14887 |
| CLogP | 3.3022 |
| CLogS | -4.996 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 319.83 |
| Relative PSA | 0.22046 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 2.3825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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