2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
Formula:C24H22N3O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide is not a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide |
| MolecularFormula | C24H22N3O3BrS |
| Smiles | O=C(COc1ccc(/C=N\NC(CSCc(cccc2)c2Br)=O)cc1)Nc1ccccc1 |
| InChI | InChI=1S/C24H22BrN3O3S/c25-22-9-5-4-6-19(22)16-32-17-24(30)28-26-14-18-10-12-21(13-11-18)31-15-23(29)27-20-7-2-1-3-8-20/h1-14H,15-17H2,(H,27,29)(H,28,30) |
| InChIK | HBXIEVXAZIZZJU-UHFFFAOYSA-N |
| TotalMolweight | 512.427 |
| Molweight | 512.427 |
| MonoisotopicMass | 511.056523 |
| CLogP | 4.8388 |
| CLogS | -6.633 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 363.36 |
| Relative PSA | 0.24218 |
| PolarSurfaceArea | 105.09 |
| Druglikeness | 3.2051 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-phenylacetamide | 2 - 2-[4-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
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