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(2E)-5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

Formula:C22H10N4OBr2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is not a drug-like molecule.
MolName(2E)-5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
MolecularFormulaC22H10N4OBr2F2S
SmilesNC(N(C(/C(/S1)=C\c(cc(cc2)Br)c2F)=O)C1=C(C1c(cc(cc2)Br)c2F)C#N)=C1C#N
InChIInChI=1S/C22H10Br2F2N4OS/c23-11-1-3-16(25)10(5-11)6-18-21(31)30-20(29)14(8-27)19(15(9-28)22(30)32-18)13-7-12(24)2-4-17(13)26/h1-7,19H,29H2/t19-/m0/s1
InChIKFAVSSUPWZVWWDL-IBGZPJMESA-N
TotalMolweight576.218
Molweight576.218
MonoisotopicMass573.891009
CLogP5.355
CLogS-8.972
H Acceptors5
H Donors1
TotalSurfaceArea336.51
Relative PSA0.22724
PolarSurfaceArea119.21
Druglikeness-3.5578
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.4375
Fragments1
Non HAtoms32
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond2
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Amides1
BasicNitrogens1
StereoConracemate

Request More Details | (2E)-5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile


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