N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide
Formula:C22H17N3O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide |
| MolecularFormula | C22H17N3O3BrCl |
| Smiles | O=C(C(N/N=C\c(cccc1)c1OCc(cc1)ccc1Br)=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C22H17BrClN3O3/c23-17-11-9-15(10-12-17)14-30-20-8-4-1-5-16(20)13-25-27-22(29)21(28)26-19-7-3-2-6-18(19)24/h1-13H,14H2,(H,26,28)(H,27,29) |
| InChIK | BRIMJEOVWGLRGO-UHFFFAOYSA-N |
| TotalMolweight | 486.752 |
| Molweight | 486.752 |
| MonoisotopicMass | 485.01418 |
| CLogP | 4.8232 |
| CLogS | -6.436 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 333.77 |
| Relative PSA | 0.21125 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.6249 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide | 2 - N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide
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