(2,5-diphenylpyrazol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C29H28N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2,5-diphenylpyrazol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | (2,5-diphenylpyrazol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C29H28N4O |
| Smiles | O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C29H28N4O/c34-29(32-21-19-31(20-22-32)18-10-13-24-11-4-1-5-12-24)28-23-27(25-14-6-2-7-15-25)30-33(28)26-16-8-3-9-17-26/h1-17,23H,18-22H2 |
| InChIK | BAVFRAOSRGKMTP-UHFFFAOYSA-N |
| TotalMolweight | 448.568 |
| Molweight | 448.568 |
| MonoisotopicMass | 448.226311 |
| CLogP | 4.5956 |
| CLogS | -4.205 |
| H Acceptors | 5 |
| TotalSurfaceArea | 360.65 |
| Relative PSA | 0.10531 |
| PolarSurfaceArea | 41.37 |
| Druglikeness | 10.13 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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