(E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
Molecular Formula : C19H18N3O3F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one |
MolecularFormula : C19H18N3O3F3 |
Smiles : O=C(/C=C/c1ncccc1)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1 |
InChI : InChI=1S/C19H18F3N3O3/c20-19(21,22)14-4-6-17(24-11-14)28-13-16-12-25(9-10-27-16)18(26)7-5-15-3-1-2-8-23-15/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1 |
InChIK : LFABEEVVMSTCSK-MRXNPFEDSA-N |
TotalMolweight : 393.364 |
Molweight : 393.364 |
MonoisotopicMass : 393.130026 |
CLogP : 2.2584 |
CLogS : -2.761 |
H Acceptors : 6 |
TotalSurfaceArea : 288.59 |
Relative PSA : 0.20281 |
PolarSurfaceArea : 64.55 |
Druglikeness : -4.1817 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.64286 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
StereoCenters : 1 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 8 |
Symmetricatoms : 2 |
Amides : 1 |
Aromatic Nitrogens : 2 |
StereoCon : racemate |
1 - (E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
2 - (E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |