[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
Formula:C23H22N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate is a drug-like molecule.
| MolName | [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate |
| MolecularFormula | C23H22N4O3 |
| Smiles | O=C(COC(/C=C/c1nc2ccccc2nc1)=O)N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C23H22N4O3/c28-22(27-14-12-26(13-15-27)19-6-2-1-3-7-19)17-30-23(29)11-10-18-16-24-20-8-4-5-9-21(20)25-18/h1-11,16H,12-15,17H2 |
| InChIK | FNFORHFMFVVUPA-UHFFFAOYSA-N |
| TotalMolweight | 402.453 |
| Molweight | 402.453 |
| MonoisotopicMass | 402.169191 |
| CLogP | 2.3172 |
| CLogS | -2.776 |
| H Acceptors | 7 |
| TotalSurfaceArea | 313.04 |
| Relative PSA | 0.20802 |
| PolarSurfaceArea | 75.63 |
| Druglikeness | 5.0591 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate | 2 - [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
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