(4Z)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
Formula:C25H16N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-phenyl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C25H16N3O2Br |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br |
| InChI | InChI=1S/C25H16BrN3O2/c26-20-13-11-17(12-14-20)23-19(16-29(28-23)21-9-5-2-6-10-21)15-22-25(30)31-24(27-22)18-7-3-1-4-8-18/h1-16H |
| InChIK | ILMUVJIIQAIELU-UHFFFAOYSA-N |
| TotalMolweight | 470.325 |
| Molweight | 470.325 |
| MonoisotopicMass | 469.042588 |
| CLogP | 4.236 |
| CLogS | -6.266 |
| H Acceptors | 5 |
| TotalSurfaceArea | 321.06 |
| Relative PSA | 0.16318 |
| PolarSurfaceArea | 56.48 |
| Druglikeness | 1.5204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4Z)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off