2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
Formula:C24H21N3O3BrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide is not a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide |
| MolecularFormula | C24H21N3O3BrFS |
| Smiles | O=C(COc1ccc(/C=N\NC(CSCc(cccc2)c2Br)=O)cc1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C24H21BrFN3O3S/c25-22-4-2-1-3-18(22)15-33-16-24(31)29-27-13-17-5-11-21(12-6-17)32-14-23(30)28-20-9-7-19(26)8-10-20/h1-13H,14-16H2,(H,28,30)(H,29,31) |
| InChIK | XPCPGWDAIPNJRO-UHFFFAOYSA-N |
| TotalMolweight | 530.417 |
| Molweight | 530.417 |
| MonoisotopicMass | 529.047101 |
| CLogP | 4.9396 |
| CLogS | -6.947 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 369.71 |
| Relative PSA | 0.23802 |
| PolarSurfaceArea | 105.09 |
| Druglikeness | 1.8651 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide | 2 - 2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
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