(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C22H21N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C22H21N2O3F |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c(cc1)ccc1OCc(cc1)ccc1F |
| InChI | InChI=1S/C22H21FN2O3/c23-19-7-3-17(4-8-19)15-28-20-9-5-16(6-10-20)12-18(13-24)22(26)25-14-21-2-1-11-27-21/h3-10,12,21H,1-2,11,14-15H2,(H,25,26)/t21-/m1/s1 |
| InChIK | ZLANXCUOWHLSHV-OAQYLSRUSA-N |
| TotalMolweight | 380.418 |
| Molweight | 380.418 |
| MonoisotopicMass | 380.153621 |
| CLogP | 3.0283 |
| CLogS | -4.603 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 302.8 |
| Relative PSA | 0.19174 |
| PolarSurfaceArea | 71.35 |
| Druglikeness | -3.9178 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide | 2 - (E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off