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2-[(5Z)-5-[[5-nitro-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Formula:C19H14N4O9S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[5-nitro-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid is not a drug-like molecule.
MolName2-[(5Z)-5-[[5-nitro-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
MolecularFormulaC19H14N4O9S3
Smiles[O-][N+](c(cc1)cc(/C=C(/C(N2C(CC(O)=O)C(O)=O)=O)\SC2=S)c1OCC(Nc1nccs1)=O)=O
InChIInChI=1S/C19H14N4O9S3/c24-14(21-18-20-3-4-34-18)8-32-12-2-1-10(23(30)31)5-9(12)6-13-16(27)22(19(33)35-13)11(17(28)29)7-15(25)26/h1-6,11H,7-8H2,(H,25,26)(H,28,29)(H,20,21,24)/t11-/m0/s1
InChIKNEZNGYCXOQJTGM-NSHDSACASA-N
TotalMolweight538.537
Molweight538.537
MonoisotopicMass537.992291
CLogP-0.5094
CLogS-4.521
H Acceptors13
H Donors3
TotalSurfaceArea368.28
Relative PSA0.57187
PolarSurfaceArea277.58
Druglikeness-1.9106
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; limit! thiazol-2-ylamine
Shape Index0.48571
Fragments1
Non HAtoms35
NonCHAtoms16
Electronegative Atoms16
StereoCenters1
Rotatable Bond10
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms9
Amides2
Aromatic Nitrogens1
AcidicOxygens3
StereoConracemate

Request More Details | 2-[(5Z)-5-[[5-nitro-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid


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