(3E,5E)-1-benzyl-3,5-bis(quinoxalin-6-ylmethylidene)piperidin-4-one
Formula:C30H23N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E,5E)-1-benzyl-3,5-bis(quinoxalin-6-ylmethylidene)piperidin-4-one is a drug-like molecule.
| MolName | (3E,5E)-1-benzyl-3,5-bis(quinoxalin-6-ylmethylidene)piperidin-4-one |
| MolecularFormula | C30H23N5O |
| Smiles | O=C(/C(/CN(Cc1ccccc1)C1)=C/c2cc3nccnc3cc2)/C1=C/c1cc2nccnc2cc1 |
| InChI | InChI=1S/C30H23N5O/c36-30-24(14-22-6-8-26-28(16-22)33-12-10-31-26)19-35(18-21-4-2-1-3-5-21)20-25(30)15-23-7-9-27-29(17-23)34-13-11-32-27/h1-17H,18-20H2 |
| InChIK | GMQFZPLJCULLDO-UHFFFAOYSA-N |
| TotalMolweight | 469.547 |
| Molweight | 469.547 |
| MonoisotopicMass | 469.19026 |
| CLogP | 4.0767 |
| CLogS | -4.138 |
| H Acceptors | 6 |
| TotalSurfaceArea | 362.27 |
| Relative PSA | 0.16692 |
| PolarSurfaceArea | 71.87 |
| Druglikeness | 3.6833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 4 |
| Symmetricatoms | 15 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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