Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C20H17N2O3ClF4 (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-en-1-one | Chemryt

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

Molecular Formula : C20H17N2O3ClF4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C20H17N2O3ClF4

Smiles : O=C(/C=C/c(cc1)c(C(F)(F)F)cc1F)N1CC(COc2cccnc2Cl)OCC1

InChI : InChI=1S/C20H17ClF4N2O3/c21-19-17(2-1-7-26-19)30-12-15-11-27(8-9-29-15)18(28)6-4-13-3-5-14(22)10-16(13)20(23,24)25/h1-7,10,15H,8-9,11-12H2/t15-/m1/s1

InChIK : AWZYQRNFBZNDFY-OAHLLOKOSA-N

TotalMolweight : 444.811

Molweight : 444.811

MonoisotopicMass : 444.086382

CLogP : 3.6581

CLogS : -3.82

H Acceptors : 5

TotalSurfaceArea : 311.6

Relative PSA : 0.15263

PolarSurfaceArea : 51.66

Druglikeness : -4.1298

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.56667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 10

Electronegative Atoms : 10

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon : racemate

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


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments