N'-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
Formula:C27H25N4O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide |
| MolecularFormula | C27H25N4O5Br |
| Smiles | O=C(C(N/N=C\c(cc(cc1)OCc2ccccc2)c1Br)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
| InChI | InChI=1S/C27H25BrN4O5/c28-23-11-10-21(37-18-19-6-2-1-3-7-19)16-20(23)17-29-31-26(34)25(33)30-24-9-5-4-8-22(24)27(35)32-12-14-36-15-13-32/h1-11,16-17H,12-15,18H2,(H,30,33)(H,31,34) |
| InChIK | HCYFLTAXOWQHKA-UHFFFAOYSA-N |
| TotalMolweight | 565.423 |
| Molweight | 565.423 |
| MonoisotopicMass | 564.100832 |
| CLogP | 3.8915 |
| CLogS | -5.41 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 397.94 |
| Relative PSA | 0.24401 |
| PolarSurfaceArea | 109.33 |
| Druglikeness | 3.2159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide | 2 - N'-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
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