N-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
Formula:C20H21N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is a drug-like molecule.
| MolName | N-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide |
| MolecularFormula | C20H21N3OF2 |
| Smiles | O=C(Nc(cc(cc1)F)c1F)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C20H21F2N3O/c21-17-8-9-18(22)19(15-17)23-20(26)25-13-11-24(12-14-25)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2,(H,23,26) |
| InChIK | XRTSLYZAWBIYIF-UHFFFAOYSA-N |
| TotalMolweight | 357.403 |
| Molweight | 357.403 |
| MonoisotopicMass | 357.165268 |
| CLogP | 3.8181 |
| CLogS | -3.812 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 277.33 |
| Relative PSA | 0.11394 |
| PolarSurfaceArea | 35.58 |
| Druglikeness | 6.0783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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