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2-[4-[(E)-[5-amino-7-[4-(2-anilino-2-oxoethoxy)phenyl]-6,8-dicyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]methyl]phenoxy]-N-phenylacetamide

Formula:C38H28N6O5S Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[4-[(E)-[5-amino-7-[4-(2-anilino-2-oxoethoxy)phenyl]-6,8-dicyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]methyl]phenoxy]-N-phenylacetamide is not a drug-like molecule.
MolName2-[4-[(E)-[5-amino-7-[4-(2-anilino-2-oxoethoxy)phenyl]-6,8-dicyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]methyl]phenoxy]-N-phenylacetamide
MolecularFormulaC38H28N6O5S
SmilesNC(N(C(/C(/S1)=C\c(cc2)ccc2OCC(Nc2ccccc2)=O)=O)C1=C(C1c(cc2)ccc2OCC(Nc2ccccc2)=O)C#N)=C1C#N
InChIInChI=1S/C38H28N6O5S/c39-20-30-35(25-13-17-29(18-14-25)49-23-34(46)43-27-9-5-2-6-10-27)31(21-40)38-44(36(30)41)37(47)32(50-38)19-24-11-15-28(16-12-24)48-22-33(45)42-26-7-3-1-4-8-26/h1-19,35H,22-23,41H2,(H,42,45)(H,43,46)/t35-/m0/s1
InChIKITRRQJMOHPBEBF-DHUJRADRSA-N
TotalMolweight680.743
Molweight680.743
MonoisotopicMass680.184189
CLogP5.1478
CLogS-9.26
H Acceptors11
H Donors3
TotalSurfaceArea512.01
Relative PSA0.28412
PolarSurfaceArea195.87
Druglikeness0.074456
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.6
Fragments1
Non HAtoms50
NonCHAtoms12
Electronegative Atoms12
StereoCenters1
Rotatable Bond10
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms8
Amides3
BasicNitrogens1
StereoConracemate

Request More Details | 2-[4-[(E)-[5-amino-7-[4-(2-anilino-2-oxoethoxy)phenyl]-6,8-dicyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]methyl]phenoxy]-N-phenylacetamide


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