(E)-3-(3-benzoyl-1-phenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one
Formula:C24H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-benzoyl-1-phenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-benzoyl-1-phenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C24H17N3O2 |
| Smiles | O=C(/C=C/c1cn(-c2ccccc2)nc1C(c1ccccc1)=O)c1cnccc1 |
| InChI | InChI=1S/C24H17N3O2/c28-22(19-10-7-15-25-16-19)14-13-20-17-27(21-11-5-2-6-12-21)26-23(20)24(29)18-8-3-1-4-9-18/h1-17H |
| InChIK | SLPHWVDAYJLZNT-UHFFFAOYSA-N |
| TotalMolweight | 379.418 |
| Molweight | 379.418 |
| MonoisotopicMass | 379.132077 |
| CLogP | 2.6557 |
| CLogS | -4.904 |
| H Acceptors | 5 |
| TotalSurfaceArea | 301.26 |
| Relative PSA | 0.1822 |
| PolarSurfaceArea | 64.85 |
| Druglikeness | 3.869 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(3-benzoyl-1-phenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one | 2 - (E)-3-(3-benzoyl-1-phenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off