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C21H18N2O4F6 (E)-3-[3-(trifluoromethoxy)phenyl]-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one | Chemryt

(E)-3-[3-(trifluoromethoxy)phenyl]-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C21H18N2O4F6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (E)-3-[3-(trifluoromethoxy)phenyl]-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one

MolecularFormula : C21H18N2O4F6

Smiles : O=C(/C=C/c1cccc(OC(F)(F)F)c1)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1

InChI : InChI=1S/C21H18F6N2O4/c22-20(23,24)15-5-6-18(28-11-15)32-13-17-12-29(8-9-31-17)19(30)7-4-14-2-1-3-16(10-14)33-21(25,26)27/h1-7,10-11,17H,8-9,12-13H2/t17-/m1/s1

InChIK : DAYJPWWXIHPNOD-QGZVFWFLSA-N

TotalMolweight : 476.372

Molweight : 476.372

MonoisotopicMass : 476.117076

CLogP : 4.3043

CLogS : -4.555

H Acceptors : 6

TotalSurfaceArea : 329.29

Relative PSA : 0.1748

PolarSurfaceArea : 60.89

Druglikeness : -7.7217

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.60606

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 12

Electronegative Atoms : 12

StereoCenters : 1

Rotatable Bond : 8

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 10

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 1

StereoCon : racemate

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