N-(2-bromophenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
Formula:C22H19N4O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-bromophenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(2-bromophenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide |
| MolecularFormula | C22H19N4O5Br |
| Smiles | O=C(COc1ccc(/C=N\NC(C(Nc(cccc2)c2Br)=O)=O)cc1)NCc1ccco1 |
| InChI | InChI=1S/C22H19BrN4O5/c23-18-5-1-2-6-19(18)26-21(29)22(30)27-25-12-15-7-9-16(10-8-15)32-14-20(28)24-13-17-4-3-11-31-17/h1-12H,13-14H2,(H,24,28)(H,26,29)(H,27,30) |
| InChIK | YVKTUCGFKBOSEE-UHFFFAOYSA-N |
| TotalMolweight | 499.32 |
| Molweight | 499.32 |
| MonoisotopicMass | 498.053882 |
| CLogP | 2.4896 |
| CLogS | -5.149 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 351.01 |
| Relative PSA | 0.31087 |
| PolarSurfaceArea | 122.03 |
| Druglikeness | 2.0939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - N-(2-bromophenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide | 2 - N-(2-bromophenyl)-N'-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
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