(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 : low |(E)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.
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 |
Nasty Functions : |
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 |
1 - (E)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
2 - (E)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |