[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
Formula:C24H25NO4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate is a drug-like molecule.
| MolName | [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate |
| MolecularFormula | C24H25NO4F2 |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1OC(F)F)=O)N1CCC(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C24H25F2NO4/c25-24(26)31-21-9-6-18(7-10-21)8-11-23(29)30-17-22(28)27-14-12-20(13-15-27)16-19-4-2-1-3-5-19/h1-11,20,24H,12-17H2 |
| InChIK | UGKWBYYGXDHLSG-UHFFFAOYSA-N |
| TotalMolweight | 429.461 |
| Molweight | 429.461 |
| MonoisotopicMass | 429.175165 |
| CLogP | 4.2656 |
| CLogS | -4.405 |
| H Acceptors | 5 |
| TotalSurfaceArea | 332.08 |
| Relative PSA | 0.14945 |
| PolarSurfaceArea | 55.84 |
| Druglikeness | -0.14179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate | 2 - [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
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