N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dichlorophenyl)oxamide
Formula:C22H16N3O3BrCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dichlorophenyl)oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dichlorophenyl)oxamide |
| MolecularFormula | C22H16N3O3BrCl2 |
| Smiles | O=C(C(N/N=C\c(cccc1)c1OCc(cc1)ccc1Br)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C22H16BrCl2N3O3/c23-16-7-5-14(6-8-16)13-31-20-4-2-1-3-15(20)12-26-28-22(30)21(29)27-19-11-17(24)9-10-18(19)25/h1-12H,13H2,(H,27,29)(H,28,30) |
| InChIK | DHVWTVPUNRCYKF-UHFFFAOYSA-N |
| TotalMolweight | 521.197 |
| Molweight | 521.197 |
| MonoisotopicMass | 518.975207 |
| CLogP | 5.4292 |
| CLogS | -7.172 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 349.19 |
| Relative PSA | 0.20192 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.6249 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dichlorophenyl)oxamide | 2 - N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dichlorophenyl)oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off