N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
Formula:C20H20N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C20H20N3O4Br |
| Smiles | O=C(COc(ccc(/C=N\NC(c1ccccc1)=O)c1)c1Br)N1CCOCC1 |
| InChI | InChI=1S/C20H20BrN3O4/c21-17-12-15(13-22-23-20(26)16-4-2-1-3-5-16)6-7-18(17)28-14-19(25)24-8-10-27-11-9-24/h1-7,12-13H,8-11,14H2,(H,23,26) |
| InChIK | DCVIZOQZKWLSSW-UHFFFAOYSA-N |
| TotalMolweight | 446.3 |
| Molweight | 446.3 |
| MonoisotopicMass | 445.063718 |
| CLogP | 3.176 |
| CLogS | -4.045 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 308.97 |
| Relative PSA | 0.23497 |
| PolarSurfaceArea | 80.23 |
| Druglikeness | 4.2447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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]benzamide | 2 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
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