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

C27H21N2O6FS | Cheminformatics
Menu

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Molecular Formula : C27H21N2O6FS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is not a drug-like molecule.

MolName : N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

MolecularFormula : C27H21N2O6FS

Smiles : O=C(CN(C(/C(/S1)=C\c2cc(OCc(cccc3)c3F)ccc2)=O)C1=O)Nc(cc1)cc2c1OCCO2

InChI : InChI=1S/C27H21FN2O6S/c28-21-7-2-1-5-18(21)16-36-20-6-3-4-17(12-20)13-24-26(32)30(27(33)37-24)15-25(31)29-19-8-9-22-23(14-19)35-11-10-34-22/h1-9,12-14H,10-11,15-16H2,(H,29,31)

InChIK : BLJSETNCPZKLMQ-UHFFFAOYSA-N

TotalMolweight : 520.536

Molweight : 520.536

MonoisotopicMass : 520.110436

CLogP : 3.9624

CLogS : -5.898

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 374.38

Relative PSA : 0.27144

PolarSurfaceArea : 119.47

Druglikeness : -3.2673

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! methylene-thiazolidine-2,4-dione

Shape Index : 0.59459

Fragments : 1

Non HAtoms : 37

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 7

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 8

Amides : 2

StereoCon :

Click to Load Molecule:
1 - N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
2 - N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5E)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide


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