N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide
Formula:C28H21N4O4Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide is not a drug-like molecule.
| MolName | N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide |
| MolecularFormula | C28H21N4O4Br |
| Smiles | O=C(C(N/N=C\c1cc(Oc2ccccc2)ccc1)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C28H21BrN4O4/c29-20-13-15-21(16-14-20)31-26(34)24-11-4-5-12-25(24)32-27(35)28(36)33-30-18-19-7-6-10-23(17-19)37-22-8-2-1-3-9-22/h1-18H,(H,31,34)(H,32,35)(H,33,36) |
| InChIK | RXFVLMGUJVEKIS-UHFFFAOYSA-N |
| TotalMolweight | 557.403 |
| Molweight | 557.403 |
| MonoisotopicMass | 556.074617 |
| CLogP | 5.4122 |
| CLogS | -8.168 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 393.56 |
| Relative PSA | 0.24141 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | 1.8451 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62162 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide | 2 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide
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