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C23H20N3O4F3 (E)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one | Chemryt

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

Molecular Formula : C23H20N3O4F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C23H20N3O4F3

Smiles : O=C(/C=C/c1cccc(OC(F)(F)F)c1)N1CC(COc2ncnc3ccccc23)OCC1

InChI : InChI=1S/C23H20F3N3O4/c24-23(25,26)33-17-5-3-4-16(12-17)8-9-21(30)29-10-11-31-18(13-29)14-32-22-19-6-1-2-7-20(19)27-15-28-22/h1-9,12,15,18H,10-11,13-14H2/t18-/m1/s1

InChIK : BDMCEUKOWCWMLK-GOSISDBHSA-N

TotalMolweight : 459.423

Molweight : 459.423

MonoisotopicMass : 459.140591

CLogP : 4.2106

CLogS : -5.069

H Acceptors : 7

TotalSurfaceArea : 333.19

Relative PSA : 0.20568

PolarSurfaceArea : 73.78

Druglikeness : -4.9917

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Shape Index : 0.57576

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 10

Electronegative Atoms : 10

StereoCenters : 1

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 9

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 2

StereoCon : racemate

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