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ethyl (2E,5S)-5-(4-acetyloxy-3-ethoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Formula:C28H28N2O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl (2E,5S)-5-(4-acetyloxy-3-ethoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is not a drug-like molecule.
MolNameethyl (2E,5S)-5-(4-acetyloxy-3-ethoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MolecularFormulaC28H28N2O7S
SmilesCCOC(C([C@H](c(cc1)cc(OCC)c1OC(C)=O)N1C2=O)=C(C)N=C1S/C2=C/c(cc1)ccc1OC)=O
InChIInChI=1S/C28H28N2O7S/c1-6-35-22-15-19(10-13-21(22)37-17(4)31)25-24(27(33)36-7-2)16(3)29-28-30(25)26(32)23(38-28)14-18-8-11-20(34-5)12-9-18/h8-15,25H,6-7H2,1-5H3/t25-/m1/s1
InChIKOAKJQHNPMCZGAT-RUZDIDTESA-N
TotalMolweight536.603
Molweight536.603
MonoisotopicMass536.161723
CLogP4.2339
CLogS-5.496
H Acceptors9
TotalSurfaceArea398.98
Relative PSA0.27989
PolarSurfaceArea129.03
Druglikeness0.84932
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.47368
Fragments1
Non HAtoms38
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms13
Symmetricatoms2
Amides1
StereoConthis enantiomer

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