(4Z)-4-[[2-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
Formula:C24H18NO4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[[2-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[[2-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C24H18NO4Br |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c(cccc1)c1OCCOc(cc1)ccc1Br |
| InChI | InChI=1S/C24H18BrNO4/c25-19-10-12-20(13-11-19)28-14-15-29-22-9-5-4-8-18(22)16-21-24(27)30-23(26-21)17-6-2-1-3-7-17/h1-13,16H,14-15H2 |
| InChIK | MTMYEZZTNWFSDT-UHFFFAOYSA-N |
| TotalMolweight | 464.314 |
| Molweight | 464.314 |
| MonoisotopicMass | 463.04192 |
| CLogP | 4.672 |
| CLogS | -6.021 |
| H Acceptors | 5 |
| TotalSurfaceArea | 320.86 |
| Relative PSA | 0.17001 |
| PolarSurfaceArea | 57.12 |
| Druglikeness | -7.9629 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (4Z)-4-[[2-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4Z)-4-[[2-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
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