N-(oxolan-2-ylmethyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]pyrazine-2-carboxamide
Formula:C26H33N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-(oxolan-2-ylmethyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]pyrazine-2-carboxamide |
| MolecularFormula | C26H33N5O3 |
| Smiles | O=C(CCN(CC1OCCC1)C(c1nccnc1)=O)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C26H33N5O3/c32-25(30-17-15-29(16-18-30)13-4-8-22-6-2-1-3-7-22)10-14-31(21-23-9-5-19-34-23)26(33)24-20-27-11-12-28-24/h1-4,6-8,11-12,20,23H,5,9-10,13-19,21H2/t23-/m1/s1 |
| InChIK | SJJWQNYTTOUIKU-HSZRJFAPSA-N |
| TotalMolweight | 463.58 |
| Molweight | 463.58 |
| MonoisotopicMass | 463.25834 |
| CLogP | 1.7792 |
| CLogS | -1.462 |
| H Acceptors | 8 |
| TotalSurfaceArea | 370.3 |
| Relative PSA | 0.18544 |
| PolarSurfaceArea | 78.87 |
| Druglikeness | 6.5301 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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