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C22H18N3O6ClS2 | Cheminformatics

(5Z)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Molecular Formula : C22H18N3O6ClS2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5Z)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is not a drug-like molecule.

MolName : (5Z)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

MolecularFormula : C22H18N3O6ClS2

Smiles : [O-][N+](c(cc(/C=C(/C(N1CC(N2CCOCC2)=O)=O)\SC1=O)cc1)c1Sc(cc1)ccc1Cl)=O

InChI : InChI=1S/C22H18ClN3O6S2/c23-15-2-4-16(5-3-15)33-18-6-1-14(11-17(18)26(30)31)12-19-21(28)25(22(29)34-19)13-20(27)24-7-9-32-10-8-24/h1-6,11-12H,7-10,13H2

InChIK : WCYLGRWUTOKJRF-UHFFFAOYSA-N

TotalMolweight : 519.985

Molweight : 519.985

MonoisotopicMass : 519.032554

CLogP : 2.567

CLogS : -5.241

H Acceptors : 9

TotalSurfaceArea : 357.45

Relative PSA : 0.34024

PolarSurfaceArea : 163.34

Druglikeness : -0.62572

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.58824

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 9

Symmetricatoms : 4

Amides : 2

AcidicOxygens : 1

StereoCon :

Request More Details | (5Z)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione


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