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

Formula:C38H26N2OBr2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (9E)-5-(4-bromophenyl)-9-[(4-bromophenyl)methylidene]-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is not a drug-like molecule.
MolName(9E)-5-(4-bromophenyl)-9-[(4-bromophenyl)methylidene]-2-(4,5-diphenyl-1,3-dithiol-2-ylidene)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
MolecularFormulaC38H26N2OBr2S3
SmilesO=C(C(S1)=C2SC(c3ccccc3)=C(c3ccccc3)S2)N2C1=NC(/C(/CCC1)=C/c(cc3)ccc3Br)=C1C2c(cc1)ccc1Br
InChIInChI=1S/C38H26Br2N2OS3/c39-28-18-14-23(15-19-28)22-27-12-7-13-30-31(27)41-38-42(32(30)24-16-20-29(40)21-17-24)36(43)35(46-38)37-44-33(25-8-3-1-4-9-25)34(45-37)26-10-5-2-6-11-26/h1-6,8-11,14-22,32H,7,12-13H2/t32-/m0/s1
InChIKFWSDHQMFMHMMDW-YTTGMZPUSA-N
TotalMolweight782.643
Molweight782.643
MonoisotopicMass779.957395
CLogP11.9
CLogS-8.576
H Acceptors3
TotalSurfaceArea486.54
Relative PSA0.1656
PolarSurfaceArea108.57
Druglikeness-0.60436
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.41304
Fragments1
Non HAtoms46
NonCHAtoms8
Electronegative Atoms8
StereoCenters1
Rotatable Bond4
Rings Closures8
Small Rings8
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms7
Symmetricatoms14
Amides1
StereoConracemate

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