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

C26H23N4O5FS | Cheminformatics
Menu

N-(2-fluorophenyl)-2-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Molecular Formula : C26H23N4O5FS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-(2-fluorophenyl)-2-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is not a drug-like molecule.

MolName : N-(2-fluorophenyl)-2-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

MolecularFormula : C26H23N4O5FS

Smiles : O=C(CN(C(/C(/S1)=C/c2cn(CC(N3CCOCC3)=O)c3c2cccc3)=O)C1=O)Nc(cccc1)c1F

InChI : InChI=1S/C26H23FN4O5S/c27-19-6-2-3-7-20(19)28-23(32)15-31-25(34)22(37-26(31)35)13-17-14-30(21-8-4-1-5-18(17)21)16-24(33)29-9-11-36-12-10-29/h1-8,13-14H,9-12,15-16H2,(H,28,32)

InChIK : MQHNNDIAFKGAAF-UHFFFAOYSA-N

TotalMolweight : 522.556

Molweight : 522.556

MonoisotopicMass : 522.137319

CLogP : 1.9766

CLogS : -3.74

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 373.99

Relative PSA : 0.28097

PolarSurfaceArea : 126.25

Druglikeness : 3.7261

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.54054

Fragments : 1

Non HAtoms : 37

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 3

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - N-(2-fluorophenyl)-2-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
2 - N-(2-fluorophenyl)-2-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]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-fluorophenyl)-2-[(5Z)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide


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