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3-[2-[(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]chromen-2-one

Formula:C32H23N3O2Br2S Mutagenic:none Tumorigenic:high Reproductive Effective:low 3-[2-[(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]chromen-2-one is not a drug-like molecule.
MolName3-[2-[(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]chromen-2-one
MolecularFormulaC32H23N3O2Br2S
SmilesO=C1Oc(cccc2)c2C=C1c1cnc(N(C(C2CCC3)c(cc4)ccc4Br)N=C2/C3=C/c(cc2)ccc2Br)s1
InChIInChI=1S/C32H23Br2N3O2S/c33-23-12-8-19(9-13-23)16-22-5-3-6-25-29(22)36-37(30(25)20-10-14-24(34)15-11-20)32-35-18-28(40-32)26-17-21-4-1-2-7-27(21)39-31(26)38/h1-2,4,7-18,25,30H,3,5-6H2
InChIKWKZSOFBCWVLZNB-UHFFFAOYSA-N
TotalMolweight673.428
Molweight673.428
MonoisotopicMass670.987769
CLogP8.5572
CLogS-8.557
H Acceptors5
TotalSurfaceArea420.72
Relative PSA0.16503
PolarSurfaceArea83.03
Druglikeness-0.33076
Mutagenicnone
Tumorigenichigh
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.475
Fragments1
Non HAtoms40
NonCHAtoms8
Electronegative Atoms8
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms4
Aromatic Nitrogens1
BasicNitrogens1
StereoConunknown chirality

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