(E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
Molecular Formula : C22H16N3O3F5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |(E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one |
MolecularFormula : C22H16N3O3F5 |
Smiles : O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)N1CC(COc2ncnc3ccccc23)OCC1 |
InChI : InChI=1S/C22H16F5N3O3/c23-17-14(18(24)20(26)21(27)19(17)25)5-6-16(31)30-7-8-32-12(9-30)10-33-22-13-3-1-2-4-15(13)28-11-29-22/h1-6,11-12H,7-10H2/t12-/m1/s1 |
InChIK : BBWHMVBPYCODAA-GFCCVEGCSA-N |
TotalMolweight : 465.377 |
Molweight : 465.377 |
MonoisotopicMass : 465.111182 |
CLogP : 3.6156 |
CLogS : -5.616 |
H Acceptors : 6 |
TotalSurfaceArea : 325.48 |
Relative PSA : 0.17983 |
PolarSurfaceArea : 64.55 |
Druglikeness : 1.6683 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : polyhalo aromatic ring |
Shape Index : 0.54545 |
Fragments : 1 |
Non HAtoms : 33 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
StereoCenters : 1 |
Rotatable Bond : 5 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amides : 1 |
Aromatic Nitrogens : 2 |
StereoCon : racemate |
1 - (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
2 - (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
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