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C25H21N3O4ClFS | Cheminformatics
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(5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Molecular Formula : C25H21N3O4ClFS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.

MolName : (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

MolecularFormula : C25H21N3O4ClFS

Smiles : O=C(Cn1c(cccc2)c2c(/C=C(/C(N2Cc(c(F)ccc3)c3Cl)=O)\SC2=O)c1)N1CCOCC1

InChI : InChI=1S/C25H21ClFN3O4S/c26-19-5-3-6-20(27)18(19)14-30-24(32)22(35-25(30)33)12-16-13-29(21-7-2-1-4-17(16)21)15-23(31)28-8-10-34-11-9-28/h1-7,12-13H,8-11,14-15H2

InChIK : JHARIUYHCJECNU-UHFFFAOYSA-N

TotalMolweight : 513.976

Molweight : 513.976

MonoisotopicMass : 513.092532

CLogP : 3.2083

CLogS : -4.525

H Acceptors : 7

TotalSurfaceArea : 360.2

Relative PSA : 0.22371

PolarSurfaceArea : 97.15

Druglikeness : 3.2096

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.51429

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 2

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
2 - (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
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Request More Details | (5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione


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