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(9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one

Formula:C40H28N2O3F4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is not a drug-like molecule.
MolName(9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
MolecularFormulaC40H28N2O3F4S3
SmilesO=C(C(S1)=C2SC(c3ccccc3)=C(c3ccccc3)S2)N2C1=NC(/C(/CCC1)=C/c(cc3)ccc3OC(F)F)=C1C2c(cc1)ccc1OC(F)F
InChIInChI=1S/C40H28F4N2O3S3/c41-38(42)48-28-18-14-23(15-19-28)22-27-12-7-13-30-31(27)45-40-46(32(30)24-16-20-29(21-17-24)49-39(43)44)36(47)35(52-40)37-50-33(25-8-3-1-4-9-25)34(51-37)26-10-5-2-6-11-26/h1-6,8-11,14-22,32,38-39H,7,12-13H2/t32-/m1/s1
InChIKNNSPKYSPPORQJJ-JGCGQSQUSA-N
TotalMolweight756.863
Molweight756.863
MonoisotopicMass756.119815
CLogP10.789
CLogS-8.152
H Acceptors5
TotalSurfaceArea519.68
Relative PSA0.19352
PolarSurfaceArea127.03
Druglikeness-1.6375
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.40385
Fragments1
Non HAtoms52
NonCHAtoms12
Electronegative Atoms12
StereoCenters1
Rotatable Bond8
Rings Closures8
Small Rings8
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms11
Symmetricatoms16
Amides1
StereoConracemate

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