(2Z)-2-(4-benzoyl-3-phenyl-1,3-dihydroquinoxalin-2-ylidene)-1-phenylethanone
Formula:C29H22N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(4-benzoyl-3-phenyl-1,3-dihydroquinoxalin-2-ylidene)-1-phenylethanone is not a drug-like molecule.
| MolName | (2Z)-2-(4-benzoyl-3-phenyl-1,3-dihydroquinoxalin-2-ylidene)-1-phenylethanone |
| MolecularFormula | C29H22N2O2 |
| Smiles | O=C(/C=C(/C1c2ccccc2)\Nc(cccc2)c2N1C(c1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C29H22N2O2/c32-27(21-12-4-1-5-13-21)20-25-28(22-14-6-2-7-15-22)31(26-19-11-10-18-24(26)30-25)29(33)23-16-8-3-9-17-23/h1-20,28,30H/t28-/m1/s1 |
| InChIK | DAGQNPWVOYXQQE-MUUNZHRXSA-N |
| TotalMolweight | 430.506 |
| Molweight | 430.506 |
| MonoisotopicMass | 430.168128 |
| CLogP | 5.334 |
| CLogS | -6.47 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 333.51 |
| Relative PSA | 0.1232 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 3.0641 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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