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

C19H19NO4F2S | Cheminformatics

2-[(2,5-difluorophenoxy)methyl]-4-[(E)-2-phenylethenyl]sulfonylmorpholine

Molecular Formula : C19H19NO4F2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : 2-[(2,5-difluorophenoxy)methyl]-4-[(E)-2-phenylethenyl]sulfonylmorpholine

MolecularFormula : C19H19NO4F2S

Smiles : O=S(/C=C/c1ccccc1)(N1CC(COc(cc(cc2)F)c2F)OCC1)=O

InChI : InChI=1S/C19H19F2NO4S/c20-16-6-7-18(21)19(12-16)26-14-17-13-22(9-10-25-17)27(23,24)11-8-15-4-2-1-3-5-15/h1-8,11-12,17H,9-10,13-14H2/t17-/m1/s1

InChIK : YSPVUJGGQWIZCL-QGZVFWFLSA-N

TotalMolweight : 395.425

Molweight : 395.425

MonoisotopicMass : 395.100285

CLogP : 2.7733

CLogS : -4.208

H Acceptors : 5

TotalSurfaceArea : 285.14

Relative PSA : 0.18282

PolarSurfaceArea : 64.22

Druglikeness : -1.6722

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.59259

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 3

Amides : 1

StereoCon : racemate

Request More Details | 2-[(2,5-difluorophenoxy)methyl]-4-[(E)-2-phenylethenyl]sulfonylmorpholine


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