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C25H22N3O4ClS | Cheminformatics
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(5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Molecular Formula : C25H22N3O4ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName : (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

MolecularFormula : C25H22N3O4ClS

Smiles : O=C(Cn1c(cccc2)c2c(/C=C(\C(N2Cc(cccc3)c3Cl)=O)/SC2=O)c1)N1CCOCC1

InChI : InChI=1S/C25H22ClN3O4S/c26-20-7-3-1-5-17(20)15-29-24(31)22(34-25(29)32)13-18-14-28(21-8-4-2-6-19(18)21)16-23(30)27-9-11-33-12-10-27/h1-8,13-14H,9-12,15-16H2

InChIK : BQAGNSOLELJRGW-UHFFFAOYSA-N

TotalMolweight : 495.986

Molweight : 495.986

MonoisotopicMass : 495.101954

CLogP : 3.1075

CLogS : -4.211

H Acceptors : 7

TotalSurfaceArea : 353.85

Relative PSA : 0.22772

PolarSurfaceArea : 97.15

Druglikeness : 4.5496

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.52941

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 9

Electronegative Atoms : 9

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 - (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
2 - (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
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