[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Formula:C22H25N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is a drug-like molecule.
| MolName | [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate |
| MolecularFormula | C22H25N3O5S |
| Smiles | O=C(COC(CNS(/C=C/c1ccccc1)(=O)=O)=O)N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C22H25N3O5S/c26-21(25-14-12-24(13-15-25)20-9-5-2-6-10-20)18-30-22(27)17-23-31(28,29)16-11-19-7-3-1-4-8-19/h1-11,16,23H,12-15,17-18H2 |
| InChIK | NTBBERPYBCTRGX-UHFFFAOYSA-N |
| TotalMolweight | 443.523 |
| Molweight | 443.523 |
| MonoisotopicMass | 443.151492 |
| CLogP | 1.7926 |
| CLogS | -3.321 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 334.72 |
| Relative PSA | 0.24863 |
| PolarSurfaceArea | 104.4 |
| Druglikeness | 7.1788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate | 2 - [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
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