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

C20H21N2O5ClS 1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-2-[(E)-2-phenylethenyl]sulfonylethanone | Chemryt

1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-2-[(E)-2-phenylethenyl]sulfonylethanone

Molecular Formula : C20H21N2O5ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-2-[(E)-2-phenylethenyl]sulfonylethanone

MolecularFormula : C20H21N2O5ClS

Smiles : O=C(CS(/C=C/c1ccccc1)(=O)=O)N1CC(COc(cc2)ncc2Cl)OCC1

InChI : InChI=1S/C20H21ClN2O5S/c21-17-6-7-19(22-12-17)28-14-18-13-23(9-10-27-18)20(24)15-29(25,26)11-8-16-4-2-1-3-5-16/h1-8,11-12,18H,9-10,13-15H2/t18-/m1/s1

InChIK : MQBOHMQQZFPUNQ-GOSISDBHSA-N

TotalMolweight : 436.915

Molweight : 436.915

MonoisotopicMass : 436.08597

CLogP : 1.6428

CLogS : -3.444

H Acceptors : 7

TotalSurfaceArea : 318.13

Relative PSA : 0.23934

PolarSurfaceArea : 94.18

Druglikeness : 0.66581

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.65517

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 9

Electronegative Atoms : 9

StereoCenters : 1

Rotatable Bond : 7

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 9

Symmetricatoms : 3

Amides : 1

Aromatic Nitrogens : 1

StereoCon : racemate

Request More Details | 1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-2-[(E)-2-phenylethenyl]sulfonylethanone


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