1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trifluorophenyl)sulfonylpiperazine
Formula:C19H19N2O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trifluorophenyl)sulfonylpiperazine is a drug-like molecule.
| MolName | 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trifluorophenyl)sulfonylpiperazine |
| MolecularFormula | C19H19N2O2F3S |
| Smiles | O=S(c(ccc(F)c1F)c1F)(N1CCN(C/C=C/c2ccccc2)CC1)=O |
| InChI | InChI=1S/C19H19F3N2O2S/c20-16-8-9-17(19(22)18(16)21)27(25,26)24-13-11-23(12-14-24)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2 |
| InChIK | OXZJVPWTEIGQOR-UHFFFAOYSA-N |
| TotalMolweight | 396.432 |
| Molweight | 396.432 |
| MonoisotopicMass | 396.111932 |
| CLogP | 3.2935 |
| CLogS | -3.106 |
| H Acceptors | 4 |
| TotalSurfaceArea | 283.05 |
| Relative PSA | 0.12606 |
| PolarSurfaceArea | 49 |
| Druglikeness | 2.6706 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trifluorophenyl)sulfonylpiperazine | 2 - 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trifluorophenyl)sulfonylpiperazine
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