2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C21H23N4O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C21H23N4O3BrS |
| Smiles | O=C(CN(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C21H23BrN4O3S/c22-19-8-10-20(11-9-19)30(28,29)26-15-13-25(14-16-26)17-21(27)24-23-12-4-7-18-5-2-1-3-6-18/h1-12H,13-17H2,(H,24,27) |
| InChIK | DLNARVPTYNNVPS-UHFFFAOYSA-N |
| TotalMolweight | 491.409 |
| Molweight | 491.409 |
| MonoisotopicMass | 490.067422 |
| CLogP | 2.7422 |
| CLogS | -3.317 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 336.6 |
| Relative PSA | 0.21298 |
| PolarSurfaceArea | 90.46 |
| Druglikeness | 5.6787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| 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 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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