1-(benzenesulfonyl)-4-(4-phenylcyclohexyl)piperazine
Formula:C22H28N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(benzenesulfonyl)-4-(4-phenylcyclohexyl)piperazine is a drug-like molecule.
| MolName | 1-(benzenesulfonyl)-4-(4-phenylcyclohexyl)piperazine |
| MolecularFormula | C22H28N2O2S |
| Smiles | O=S(c1ccccc1)(N(CC1)CCN1C(CC1)CCC1c1ccccc1)=O |
| InChI | InChI=1S/C22H28N2O2S/c25-27(26,22-9-5-2-6-10-22)24-17-15-23(16-18-24)21-13-11-20(12-14-21)19-7-3-1-4-8-19/h1-10,20-21H,11-18H2 |
| InChIK | YGWZFSAEIKYLLL-UHFFFAOYSA-N |
| TotalMolweight | 384.542 |
| Molweight | 384.542 |
| MonoisotopicMass | 384.187148 |
| CLogP | 4.1119 |
| CLogS | -3.131 |
| H Acceptors | 4 |
| TotalSurfaceArea | 290.28 |
| Relative PSA | 0.12292 |
| PolarSurfaceArea | 49 |
| Druglikeness | -2.1089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 9 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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