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

C22H20N4O3ClF (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one | Chemryt

(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C22H20N4O3ClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

MolecularFormula : C22H20N4O3ClF

Smiles : O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COc(cc2)ccc2-n2ncnc2)OCC1

InChI : InChI=1S/C22H20ClFN4O3/c23-20-2-1-3-21(24)19(20)8-9-22(29)27-10-11-30-18(12-27)13-31-17-6-4-16(5-7-17)28-15-25-14-26-28/h1-9,14-15,18H,10-13H2/t18-/m1/s1

InChIK : GFAPBWAISFTQIK-GOSISDBHSA-N

TotalMolweight : 442.877

Molweight : 442.877

MonoisotopicMass : 442.120796

CLogP : 2.7584

CLogS : -4.186

H Acceptors : 7

TotalSurfaceArea : 329.86

Relative PSA : 0.19827

PolarSurfaceArea : 69.48

Druglikeness : 3.4664

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.6129

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 9

Electronegative Atoms : 9

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 3

StereoCon : racemate

Request More Details | (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one


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