2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
Formula:C17H18N4O3Br2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide |
| MolecularFormula | C17H18N4O3Br2S2 |
| Smiles | O=C(CN(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C17H18Br2N4O3S2/c18-13-1-4-15(5-2-13)28(25,26)23-9-7-22(8-10-23)12-17(24)21-20-11-14-3-6-16(19)27-14/h1-6,11H,7-10,12H2,(H,21,24) |
| InChIK | LVNRUHHUZSYXMP-UHFFFAOYSA-N |
| TotalMolweight | 550.295 |
| Molweight | 550.295 |
| MonoisotopicMass | 547.918703 |
| CLogP | 3.5204 |
| CLogS | -3.886 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 324.67 |
| Relative PSA | 0.28352 |
| PolarSurfaceArea | 118.7 |
| Druglikeness | 6.1708 |
| 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 | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide | 2 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
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