2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidine
Formula:C16H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidine is a drug-like molecule.
| MolName | 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidine |
| MolecularFormula | C16H18N4O2S |
| Smiles | O=S(/C=C/c1ccccc1)(N(CC1)CCN1c1ncccn1)=O |
| InChI | InChI=1S/C16H18N4O2S/c21-23(22,14-7-15-5-2-1-3-6-15)20-12-10-19(11-13-20)16-17-8-4-9-18-16/h1-9,14H,10-13H2 |
| InChIK | HHNXIYQEMBENFK-UHFFFAOYSA-N |
| TotalMolweight | 330.411 |
| Molweight | 330.411 |
| MonoisotopicMass | 330.115046 |
| CLogP | 1.6392 |
| CLogS | -2.866 |
| H Acceptors | 6 |
| TotalSurfaceArea | 247.76 |
| Relative PSA | 0.23256 |
| PolarSurfaceArea | 74.78 |
| Druglikeness | 4.3331 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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