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

Formula:C31H23N2O2ClF4S Mutagenic:none Tumorigenic:none Reproductive Effective:high (9E)-3-(4-chlorophenyl)-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-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
MolecularFormulaC31H23N2O2ClF4S
SmilesFC(Oc1ccc(C2N(C(c(cc3)ccc3Cl)=CS3)C3=NC3=C2CCC/C3=C\c(cc2)ccc2OC(F)F)cc1)F
InChIInChI=1S/C31H23ClF4N2O2S/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
InChIKYCHIFSBLDQQZBB-MUUNZHRXSA-N
TotalMolweight599.047
Molweight599.047
MonoisotopicMass598.110487
CLogP8.029
CLogS-8.629
H Acceptors4
TotalSurfaceArea414.98
Relative PSA0.12663
PolarSurfaceArea59.36
Druglikeness-3.3757
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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