(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(2-phenylethyl)prop-2-enamide
Formula:C25H21N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(2-phenylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(2-phenylethyl)prop-2-enamide |
| MolecularFormula | C25H21N2O2F |
| Smiles | N#C/C(/C(NCCc1ccccc1)=O)=C\c(cc1)ccc1OCc(cc1)ccc1F |
| InChI | InChI=1S/C25H21FN2O2/c26-23-10-6-21(7-11-23)18-30-24-12-8-20(9-13-24)16-22(17-27)25(29)28-15-14-19-4-2-1-3-5-19/h1-13,16H,14-15,18H2,(H,28,29) |
| InChIK | HJXDPQUBRKKHJR-UHFFFAOYSA-N |
| TotalMolweight | 400.452 |
| Molweight | 400.452 |
| MonoisotopicMass | 400.158706 |
| CLogP | 4.5767 |
| CLogS | -5.353 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 326.04 |
| Relative PSA | 0.14741 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -2.7108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(2-phenylethyl)prop-2-enamide | 2 - (E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(2-phenylethyl)prop-2-enamide
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