1-[(E)-3-phenylprop-2-enyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
Formula:C23H29N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-3-phenylprop-2-enyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine is a drug-like molecule.
| MolName | 1-[(E)-3-phenylprop-2-enyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine |
| MolecularFormula | C23H29N3O4S2 |
| Smiles | O=S(c(cc1)ccc1S(N1CCN(C/C=C/c2ccccc2)CC1)(=O)=O)(N1CCCC1)=O |
| InChI | InChI=1S/C23H29N3O4S2/c27-31(28,25-15-4-5-16-25)22-10-12-23(13-11-22)32(29,30)26-19-17-24(18-20-26)14-6-9-21-7-2-1-3-8-21/h1-3,6-13H,4-5,14-20H2 |
| InChIK | FLHMFRNKQFTXHZ-UHFFFAOYSA-N |
| TotalMolweight | 475.632 |
| Molweight | 475.632 |
| MonoisotopicMass | 475.159947 |
| CLogP | 2.8559 |
| CLogS | -1.989 |
| H Acceptors | 7 |
| TotalSurfaceArea | 344.42 |
| Relative PSA | 0.19688 |
| PolarSurfaceArea | 94.76 |
| Druglikeness | 3.9384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 10 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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