N-[(Z)-benzylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
Formula:C19H22N4O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide |
| MolecularFormula | C19H22N4O3BrS |
| Smiles | O=C(C[NH+](CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C19H21BrN4O3S/c20-17-6-8-18(9-7-17)28(26,27)24-12-10-23(11-13-24)15-19(25)22-21-14-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,22,25)/p+1 |
| InChIK | WPOGQODPQUJAID-UHFFFAOYSA-O |
| TotalMolweight | 466.379 |
| Molweight | 466.379 |
| MonoisotopicMass | 465.059597 |
| CLogP | 0.6142 |
| CLogS | -3.025 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 324.14 |
| Relative PSA | 0.26448 |
| PolarSurfaceArea | 91.66 |
| Druglikeness | 4.235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide | 2 - N-[(Z)-benzylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
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