2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-phenylsulfanylethanone
Formula:C27H28N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-phenylsulfanylethanone is not a drug-like molecule.
| MolName | 2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-phenylsulfanylethanone |
| MolecularFormula | C27H28N2OS |
| Smiles | O=C(C(c1ccccc1)Sc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C27H28N2OS/c30-27(26(24-14-6-2-7-15-24)31-25-16-8-3-9-17-25)29-21-19-28(20-22-29)18-10-13-23-11-4-1-5-12-23/h1-17,26H,18-22H2/t26-/m1/s1 |
| InChIK | VHQXEEFTKPQEFF-AREMUKBSSA-N |
| TotalMolweight | 428.598 |
| Molweight | 428.598 |
| MonoisotopicMass | 428.192233 |
| CLogP | 5.6943 |
| CLogS | -4.336 |
| H Acceptors | 3 |
| TotalSurfaceArea | 342.92 |
| Relative PSA | 0.10973 |
| PolarSurfaceArea | 48.85 |
| Druglikeness | 9.5773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - 2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-phenylsulfanylethanone | 2 - 2-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-phenylsulfanylethanone
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