(NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenylmethylidene]-4-fluorobenzenesulfonamide
Formula:C25H24N3O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenylmethylidene]-4-fluorobenzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenylmethylidene]-4-fluorobenzenesulfonamide |
| MolecularFormula | C25H24N3O4FS |
| Smiles | O=S(c(cc1)ccc1F)(/N=C(/c1ccccc1)\N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O |
| InChI | InChI=1S/C25H24FN3O4S/c26-21-7-9-22(10-8-21)34(30,31)27-25(20-4-2-1-3-5-20)29-14-12-28(13-15-29)17-19-6-11-23-24(16-19)33-18-32-23/h1-11,16H,12-15,17-18H2 |
| InChIK | UPPPGGMPSNCEET-UHFFFAOYSA-N |
| TotalMolweight | 481.547 |
| Molweight | 481.547 |
| MonoisotopicMass | 481.147155 |
| CLogP | 4.2762 |
| CLogS | -4.268 |
| H Acceptors | 7 |
| TotalSurfaceArea | 346.84 |
| Relative PSA | 0.19372 |
| PolarSurfaceArea | 79.82 |
| Druglikeness | 5.7251 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenylmethylidene]-4-fluorobenzenesulfonamide | 2 - (NZ)-N-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenylmethylidene]-4-fluorobenzenesulfonamide
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