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(9E)-3-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

Formula:C31H23N2O2BrF4S Mutagenic:none Tumorigenic:none Reproductive Effective:high (9E)-3-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is not a drug-like molecule.
MolName(9E)-3-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
MolecularFormulaC31H23N2O2BrF4S
SmilesFC(Oc1ccc(C2N(C(c(cc3)ccc3Br)=CS3)C3=NC3=C2CCC/C3=C\c(cc2)ccc2OC(F)F)cc1)F
InChIInChI=1S/C31H23BrF4N2O2S/c32-22-10-6-19(7-11-22)26-17-41-31-37-27-21(16-18-4-12-23(13-5-18)39-29(33)34)2-1-3-25(27)28(38(26)31)20-8-14-24(15-9-20)40-30(35)36/h4-17,28-30H,1-3H2/t28-/m1/s1
InChIKNSTKZNZAZZRSIE-MUUNZHRXSA-N
TotalMolweight643.498
Molweight643.498
MonoisotopicMass642.059971
CLogP8.1482
CLogS-8.727
H Acceptors4
TotalSurfaceArea418.19
Relative PSA0.12566
PolarSurfaceArea59.36
Druglikeness-5.2255
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.46341
Fragments1
Non HAtoms41
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond7
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms9
Symmetricatoms8
BasicNitrogens1
StereoConracemate

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