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C23H19N3O3F4 | Cheminformatics

(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C23H19N3O3F4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |

MolName : (E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one

MolecularFormula : C23H19N3O3F4

Smiles : O=C(/C=C/c(cc1)c(C(F)(F)F)cc1F)N1CC(COc2ncnc3ccccc23)OCC1

InChI : InChI=1S/C23H19F4N3O3/c24-16-7-5-15(19(11-16)23(25,26)27)6-8-21(31)30-9-10-32-17(12-30)13-33-22-18-3-1-2-4-20(18)28-14-29-22/h1-8,11,14,17H,9-10,12-13H2/t17-/m1/s1

InChIK : RIGMSNMSEXLBEG-QGZVFWFLSA-N

TotalMolweight : 461.414

Molweight : 461.414

MonoisotopicMass : 461.136254

CLogP : 4.0607

CLogS : -5.138

H Acceptors : 6

TotalSurfaceArea : 329.54

Relative PSA : 0.17761

PolarSurfaceArea : 64.55

Druglikeness : -4.1817

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions :

Shape Index : 0.54545

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 10

Electronegative Atoms : 10

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 2

StereoCon : racemate

Request More Details | (E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one


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