| MolName | (4Z)-4-[[2-[2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C34H24N2O6 |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c(cccc1)c1OCCOc1c(/C=C2\N=C(c3ccccc3)OC2=O)cccc1 |
| InChI | InChI=1S/C34H24N2O6/c37-33-27(35-31(41-33)23-11-3-1-4-12-23)21-25-15-7-9-17-29(25)39-19-20-40-30-18-10-8-16-26(30)22-28-34(38)42-32(36-28)24-13-5-2-6-14-24/h1-18,21-22H,19-20H2 |
| InChIK | DUJGMSJDBJTGCT-UHFFFAOYSA-N |
| TotalMolweight | 556.573 |
| Molweight | 556.573 |
| MonoisotopicMass | 556.163438 |
| CLogP | 4.879 |
| CLogS | -7.49 |
| H Acceptors | 8 |
| TotalSurfaceArea | 423.92 |
| Relative PSA | 0.21018 |
| PolarSurfaceArea | 95.78 |
| Druglikeness | -6.1729 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 23 |
| StereoCon |
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1 - (4Z)-4-[[2-[2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4Z)-4-[[2-[2-[2-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenoxy]ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one