1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
Formula:C17H18N2O2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is a drug-like molecule.
| MolName | 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C17H18N2O2Cl2S2 |
| Smiles | O=S(c(cc(s1)Cl)c1Cl)(N1CCN(C/C=C/c2ccccc2)CC1)=O |
| InChI | InChI=1S/C17H18Cl2N2O2S2/c18-16-13-15(17(19)24-16)25(22,23)21-11-9-20(10-12-21)8-4-7-14-5-2-1-3-6-14/h1-7,13H,8-12H2 |
| InChIK | LVKPNVHVXGOFBW-UHFFFAOYSA-N |
| TotalMolweight | 417.38 |
| Molweight | 417.38 |
| MonoisotopicMass | 416.018672 |
| CLogP | 4.3969 |
| CLogS | -3.57 |
| H Acceptors | 4 |
| TotalSurfaceArea | 290.78 |
| Relative PSA | 0.19272 |
| PolarSurfaceArea | 77.24 |
| Druglikeness | 4.7686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| 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 - 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine | 2 - 1-(2,5-dichlorothiophen-3-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
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