2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
Formula:C19H21N4O3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H21N4O3BrClS |
| Smiles | O=C(C[NH+](CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H20BrClN4O3S/c20-16-3-7-18(8-4-16)29(27,28)25-11-9-24(10-12-25)14-19(26)23-22-13-15-1-5-17(21)6-2-15/h1-8,13H,9-12,14H2,(H,23,26)/p+1 |
| InChIK | XUAGLOAGEHYBOB-UHFFFAOYSA-O |
| TotalMolweight | 500.824 |
| Molweight | 500.824 |
| MonoisotopicMass | 499.020624 |
| CLogP | 1.2202 |
| CLogS | -3.761 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 339.56 |
| Relative PSA | 0.25247 |
| PolarSurfaceArea | 91.66 |
| Druglikeness | 4.9569 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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 |
Click to Load Molecule:
1 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide | 2 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off