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(2E)-5-amino-7-[4-[(2-cyanophenyl)methoxy]phenyl]-2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

Formula:C38H24N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (2E)-5-amino-7-[4-[(2-cyanophenyl)methoxy]phenyl]-2-[[4-[(2-cyanophenyl)methoxy]phenyl]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-[4-[(2-cyanophenyl)methoxy]phenyl]-2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
MolecularFormulaC38H24N6O3S
SmilesNC(N(C(/C(/S1)=C\c(cc2)ccc2OCc(cccc2)c2C#N)=O)C1=C(C1c(cc2)ccc2OCc(cccc2)c2C#N)C#N)=C1C#N
InChIInChI=1S/C38H24N6O3S/c39-18-26-5-1-3-7-28(26)22-46-30-13-9-24(10-14-30)17-34-37(45)44-36(43)32(20-41)35(33(21-42)38(44)48-34)25-11-15-31(16-12-25)47-23-29-8-4-2-6-27(29)19-40/h1-17,35H,22-23,43H2/t35-/m0/s1
InChIKFPWFVWBGLZMHQD-DHUJRADRSA-N
TotalMolweight644.714
Molweight644.714
MonoisotopicMass644.163059
CLogP6.0704
CLogS-10.904
H Acceptors9
H Donors1
TotalSurfaceArea497.01
Relative PSA0.24867
PolarSurfaceArea185.25
Druglikeness-0.615
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.54167
Fragments1
Non HAtoms48
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms4
Amides1
BasicNitrogens1
StereoConracemate

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