N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide
Formula:C26H19N4O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide is not a drug-like molecule.
| MolName | N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide |
| MolecularFormula | C26H19N4O3Br |
| Smiles | O=C(C(N/N=C\c1cccc2ccccc12)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C26H19BrN4O3/c27-19-12-14-20(15-13-19)29-24(32)22-10-3-4-11-23(22)30-25(33)26(34)31-28-16-18-8-5-7-17-6-1-2-9-21(17)18/h1-16H,(H,29,32)(H,30,33)(H,31,34) |
| InChIK | XSQDWCSMCRCFKQ-UHFFFAOYSA-N |
| TotalMolweight | 515.366 |
| Molweight | 515.366 |
| MonoisotopicMass | 514.064052 |
| CLogP | 5.211 |
| CLogS | -7.477 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 358.4 |
| Relative PSA | 0.23719 |
| PolarSurfaceArea | 99.66 |
| Druglikeness | 1.9578 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide | 2 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off