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ethyl (2Z,5S)-5-(1,3-benzodioxol-5-yl)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Formula:C32H26N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl (2Z,5S)-5-(1,3-benzodioxol-5-yl)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is not a drug-like molecule.
MolNameethyl (2Z,5S)-5-(1,3-benzodioxol-5-yl)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MolecularFormulaC32H26N4O6S
SmilesCCOC(C([C@H](c(cc1)cc2c1OCO2)N1C2=O)=C(c3ccccc3)N=C1S/C2=C\c(cc1)cc(N2C)c1N(C)C2=O)=O
InChIInChI=1S/C32H26N4O6S/c1-4-40-30(38)26-27(19-8-6-5-7-9-19)33-31-36(28(26)20-11-13-23-24(16-20)42-17-41-23)29(37)25(43-31)15-18-10-12-21-22(14-18)35(3)32(39)34(21)2/h5-16,28H,4,17H2,1-3H3/t28-/m1/s1
InChIKHZGBZODLAGVAIK-MUUNZHRXSA-N
TotalMolweight594.646
Molweight594.646
MonoisotopicMass594.157306
CLogP4.9952
CLogS-7.295
H Acceptors10
TotalSurfaceArea417.82
Relative PSA0.26033
PolarSurfaceArea126.28
Druglikeness-0.18837
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.37209
Fragments1
Non HAtoms43
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond6
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms10
Symmetricatoms2
Amides3
StereoConthis enantiomer

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