Menu

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

Formula:C36H24N4O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (2E)-5-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-2-[[4-[(2-chlorophenyl)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-chlorophenyl)methoxy]phenyl]-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
MolecularFormulaC36H24N4O3Cl2S
SmilesNC(N(C(/C(/S1)=C\c(cc2)ccc2OCc(cccc2)c2Cl)=O)C1=C(C1c(cc2)ccc2OCc(cccc2)c2Cl)C#N)=C1C#N
InChIInChI=1S/C36H24Cl2N4O3S/c37-30-7-3-1-5-24(30)20-44-26-13-9-22(10-14-26)17-32-35(43)42-34(41)28(18-39)33(29(19-40)36(42)46-32)23-11-15-27(16-12-23)45-21-25-6-2-4-8-31(25)38/h1-17,33H,20-21,41H2/t33-/m0/s1
InChIKLQOPTVCSNOBGFH-XIFFEERXSA-N
TotalMolweight663.584
Molweight663.584
MonoisotopicMass662.094615
CLogP7.6112
CLogS-10.83
H Acceptors7
H Donors1
TotalSurfaceArea484.43
Relative PSA0.19914
PolarSurfaceArea137.67
Druglikeness-0.55152
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.56522
Fragments1
Non HAtoms46
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms4
Amides1
BasicNitrogens1
StereoConracemate

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


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments