1-(5-bromothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
Formula:C17H19N2O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(5-bromothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is a drug-like molecule.
| MolName | 1-(5-bromothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C17H19N2O2BrS2 |
| Smiles | O=S(c(s1)ccc1Br)(N1CCN(C/C=C/c2ccccc2)CC1)=O |
| InChI | InChI=1S/C17H19BrN2O2S2/c18-16-8-9-17(23-16)24(21,22)20-13-11-19(12-14-20)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2 |
| InChIK | ORWRDIRIKRHISH-UHFFFAOYSA-N |
| TotalMolweight | 427.386 |
| Molweight | 427.386 |
| MonoisotopicMass | 426.007129 |
| CLogP | 3.9101 |
| CLogS | -2.932 |
| H Acceptors | 4 |
| TotalSurfaceArea | 278.57 |
| Relative PSA | 0.20117 |
| PolarSurfaceArea | 77.24 |
| Druglikeness | 1.0467 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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