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(2Z,9E)-2-[(4-chlorophenyl)methylidene]-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one

Formula:C30H21N2OClF2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z,9E)-2-[(4-chlorophenyl)methylidene]-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is not a drug-like molecule.
MolName(2Z,9E)-2-[(4-chlorophenyl)methylidene]-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
MolecularFormulaC30H21N2OClF2S
SmilesO=C(/C(/S1)=C/c(cc2)ccc2Cl)N2C1=NC(/C(/CCC1)=C/c(cc3)ccc3F)=C1C2c(cc1)ccc1F
InChIInChI=1S/C30H21ClF2N2OS/c31-22-10-4-19(5-11-22)17-26-29(36)35-28(20-8-14-24(33)15-9-20)25-3-1-2-21(27(25)34-30(35)37-26)16-18-6-12-23(32)13-7-18/h4-17,28H,1-3H2/t28-/m1/s1
InChIKYCCTXIGTISONRR-MUUNZHRXSA-N
TotalMolweight531.025
Molweight531.025
MonoisotopicMass530.103116
CLogP7.3686
CLogS-8.341
H Acceptors3
TotalSurfaceArea375.03
Relative PSA0.12156
PolarSurfaceArea57.97
Druglikeness-0.10489
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48649
Fragments1
Non HAtoms37
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms6
Amides1
StereoConracemate

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