N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
Formula:C29H23N4O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide |
| MolecularFormula | C29H23N4O4Br |
| Smiles | O=C(C(N/N=C\c(cc(cc1)Br)c1OCc1ccccc1)=O)Nc(cccc1)c1C(Nc1ccccc1)=O |
| InChI | InChI=1S/C29H23BrN4O4/c30-22-15-16-26(38-19-20-9-3-1-4-10-20)21(17-22)18-31-34-29(37)28(36)33-25-14-8-7-13-24(25)27(35)32-23-11-5-2-6-12-23/h1-18H,19H2,(H,32,35)(H,33,36)(H,34,37) |
| InChIK | XEYGIRZQLZTMTG-UHFFFAOYSA-N |
| TotalMolweight | 571.43 |
| Molweight | 571.43 |
| MonoisotopicMass | 570.090267 |
| CLogP | 5.3647 |
| CLogS | -7.212 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 407.32 |
| Relative PSA | 0.23326 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | 1.5936 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide | 2 - N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
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