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

Formula:C30H21N2OCl2FS Mutagenic:none Tumorigenic:high Reproductive Effective:none (2E,9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-2-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is not a drug-like molecule.
MolName(2E,9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-2-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
MolecularFormulaC30H21N2OCl2FS
SmilesO=C(/C(/S1)=C\c(cc2)ccc2F)N2C1=NC(/C(/CCC1)=C/c(cccc3)c3Cl)=C1C2c(cccc1)c1Cl
InChIInChI=1S/C30H21Cl2FN2OS/c31-24-10-3-1-6-19(24)17-20-7-5-9-23-27(20)34-30-35(28(23)22-8-2-4-11-25(22)32)29(36)26(37-30)16-18-12-14-21(33)15-13-18/h1-4,6,8,10-17,28H,5,7,9H2/t28-/m0/s1
InChIKZPKVNBKTDNRIOF-NDEPHWFRSA-N
TotalMolweight547.48
Molweight547.48
MonoisotopicMass546.073565
CLogP7.8738
CLogS-8.763
H Acceptors3
TotalSurfaceArea384.1
Relative PSA0.11869
PolarSurfaceArea57.97
Druglikeness-0.10489
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45946
Fragments1
Non HAtoms37
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms2
Amides1
StereoConracemate

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