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

C19H19N2O3ClS | Cheminformatics

(E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one

Molecular Formula : C19H19N2O3ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one

MolecularFormula : C19H19N2O3ClS

Smiles : O=C(/C=C/Sc1ccccc1)N1CC(COc2cccnc2Cl)OCC1

InChI : InChI=1S/C19H19ClN2O3S/c20-19-17(7-4-9-21-19)25-14-15-13-22(10-11-24-15)18(23)8-12-26-16-5-2-1-3-6-16/h1-9,12,15H,10-11,13-14H2/t15-/m1/s1

InChIK : SSSSOVOEMBAZLO-OAHLLOKOSA-N

TotalMolweight : 390.89

Molweight : 390.89

MonoisotopicMass : 390.08049

CLogP : 2.7555

CLogS : -3.116

H Acceptors : 5

TotalSurfaceArea : 293.28

Relative PSA : 0.2218

PolarSurfaceArea : 76.96

Druglikeness : 3.196

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 7

Electronegative Atoms : 7

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-phenylsulfanylprop-2-en-1-one


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