N'-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-iodophenyl)butanediamide
Formula:C24H21N3O3BrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-iodophenyl)butanediamide is not a drug-like molecule.
| MolName | N'-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-iodophenyl)butanediamide |
| MolecularFormula | C24H21N3O3BrI |
| Smiles | O=C(CCC(N/N=C\c(cccc1)c1OCc1cc(Br)ccc1)=O)Nc(cccc1)c1I |
| InChI | InChI=1S/C24H21BrIN3O3/c25-19-8-5-6-17(14-19)16-32-22-11-4-1-7-18(22)15-27-29-24(31)13-12-23(30)28-21-10-3-2-9-20(21)26/h1-11,14-15H,12-13,16H2,(H,28,30)(H,29,31) |
| InChIK | LUCAKXUWPHPEQZ-UHFFFAOYSA-N |
| TotalMolweight | 606.253 |
| Molweight | 606.253 |
| MonoisotopicMass | 604.981101 |
| CLogP | 5.5631 |
| CLogS | -7.256 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 372.15 |
| Relative PSA | 0.18947 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 1.9717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-iodophenyl)butanediamide | 2 - N'-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-iodophenyl)butanediamide
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