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

Formula:C30H21N2OBrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (2Z,9E)-2-[(4-bromophenyl)methylidene]-5-(4-chlorophenyl)-9-[(4-chlorophenyl)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-bromophenyl)methylidene]-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
MolecularFormulaC30H21N2OBrCl2S
SmilesO=C(/C(/S1)=C/c(cc2)ccc2Br)N2C1=NC(/C(/CCC1)=C/c(cc3)ccc3Cl)=C1C2c(cc1)ccc1Cl
InChIInChI=1S/C30H21BrCl2N2OS/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
InChIKFACRRNKBZRXWKM-MUUNZHRXSA-N
TotalMolweight608.386
Molweight608.386
MonoisotopicMass605.993498
CLogP8.4982
CLogS-9.283
H Acceptors3
TotalSurfaceArea396.38
Relative PSA0.11502
PolarSurfaceArea57.97
Druglikeness-0.55489
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
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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