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

Formula:C33H26N2O4F4S Mutagenic:none Tumorigenic:none Reproductive Effective:high (9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is not a drug-like molecule.
MolName(9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
MolecularFormulaC33H26N2O4F4S
SmilesFC(Oc1ccc(C2N(C(c(cc3)cc4c3OCCO4)=CS3)C3=NC3=C2CCC/C3=C\c(cc2)ccc2OC(F)F)cc1)F
InChIInChI=1S/C33H26F4N2O4S/c34-31(35)42-23-9-4-19(5-10-23)16-22-2-1-3-25-29(22)38-33-39(30(25)20-6-11-24(12-7-20)43-32(36)37)26(18-44-33)21-8-13-27-28(17-21)41-15-14-40-27/h4-13,16-18,30-32H,1-3,14-15H2/t30-/m0/s1
InChIKZEEMITSNOOMQFC-PMERELPUSA-N
TotalMolweight622.637
Molweight622.637
MonoisotopicMass622.15494
CLogP7.4018
CLogS-8.075
H Acceptors6
TotalSurfaceArea433.58
Relative PSA0.16733
PolarSurfaceArea77.82
Druglikeness-10.518
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.45455
Fragments1
Non HAtoms44
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond7
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms13
Symmetricatoms6
BasicNitrogens1
StereoConracemate

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