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C20H20N4O5S | Cheminformatics

2-[3-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide

Molecular Formula : C20H20N4O5S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-[3-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.

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

MolecularFormula : C20H20N4O5S

Smiles : NC(Cn1c(cccc2)c2c(/C=C(/C(N2CC(N3CCOCC3)=O)=O)\SC2=O)c1)=O

InChI : InChI=1S/C20H20N4O5S/c21-17(25)11-23-10-13(14-3-1-2-4-15(14)23)9-16-19(27)24(20(28)30-16)12-18(26)22-5-7-29-8-6-22/h1-4,9-10H,5-8,11-12H2,(H2,21,25)

InChIK : NSUXFXSYJQVYLQ-UHFFFAOYSA-N

TotalMolweight : 428.468

Molweight : 428.468

MonoisotopicMass : 428.115441

CLogP : -0.1844

CLogS : -2.003

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 304.94

Relative PSA : 0.35709

PolarSurfaceArea : 140.24

Druglikeness : 5.5699

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.53333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 3

Aromatic Nitrogens : 1

StereoCon :

Request More Details | 2-[3-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide


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