2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C23H24N4O3BrS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C23H24N4O3BrS |
| Smiles | O=C(C[NH+](CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C23H23BrN4O3S/c24-20-8-10-21(11-9-20)32(30,31)28-14-12-27(13-15-28)17-23(29)26-25-16-19-6-3-5-18-4-1-2-7-22(18)19/h1-11,16H,12-15,17H2,(H,26,29)/p+1 |
| InChIK | BDHRMGLZGYCFFC-UHFFFAOYSA-O |
| TotalMolweight | 516.439 |
| Molweight | 516.439 |
| MonoisotopicMass | 515.075247 |
| CLogP | 1.8086 |
| CLogS | -4.631 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 358.74 |
| Relative PSA | 0.23898 |
| PolarSurfaceArea | 91.66 |
| Druglikeness | 4.0202 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
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