N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
Formula:C20H19N3O4BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide |
| MolecularFormula | C20H19N3O4BrF |
| Smiles | O=C(COc(ccc(/C=N\NC(c(cc1)ccc1F)=O)c1)c1Br)N1CCOCC1 |
| InChI | InChI=1S/C20H19BrFN3O4/c21-17-11-14(12-23-24-20(27)15-2-4-16(22)5-3-15)1-6-18(17)29-13-19(26)25-7-9-28-10-8-25/h1-6,11-12H,7-10,13H2,(H,24,27) |
| InChIK | PLJFEYSBKUPBQD-UHFFFAOYSA-N |
| TotalMolweight | 464.29 |
| Molweight | 464.29 |
| MonoisotopicMass | 463.054296 |
| CLogP | 3.2768 |
| CLogS | -4.359 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 315.32 |
| Relative PSA | 0.23024 |
| PolarSurfaceArea | 80.23 |
| Druglikeness | 2.9047 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide | 2 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
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