N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
Formula:C27H25N4O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide |
| MolecularFormula | C27H25N4O5Br |
| Smiles | O=C(C(N/N=C\c(cccc1)c1OCc(cc1)ccc1Br)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
| InChI | InChI=1S/C27H25BrN4O5/c28-21-11-9-19(10-12-21)18-37-24-8-4-1-5-20(24)17-29-31-26(34)25(33)30-23-7-3-2-6-22(23)27(35)32-13-15-36-16-14-32/h1-12,17H,13-16,18H2,(H,30,33)(H,31,34) |
| InChIK | SXLBSYGAQUMEQI-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-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide | 2 - N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
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