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5-(3-bromophenyl)-3-[2-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione

Formula:C32H25N6O3BrF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(3-bromophenyl)-3-[2-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione is not a drug-like molecule.
MolName5-(3-bromophenyl)-3-[2-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
MolecularFormulaC32H25N6O3BrF2
SmilesO=C(CN(C1C(N2c3cccc(Br)c3)=O)N=NC1C2=O)N(C(C1CCC2)c(cc3)ccc3F)N=C1/C2=C/c(cc1)ccc1F
InChIInChI=1S/C32H25BrF2N6O3/c33-21-4-2-5-24(16-21)40-31(43)28-30(32(40)44)39(38-36-28)17-26(42)41-29(19-9-13-23(35)14-10-19)25-6-1-3-20(27(25)37-41)15-18-7-11-22(34)12-8-18/h2,4-5,7-16,25,28-30H,1,3,6,17H2
InChIKLTCCWSZEBIYKPJ-UHFFFAOYSA-N
TotalMolweight659.489
Molweight659.489
MonoisotopicMass658.113956
CLogP4.121
CLogS-6.832
H Acceptors9
TotalSurfaceArea430
Relative PSA0.19605
PolarSurfaceArea98.01
Druglikeness-4.4369
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45455
Fragments1
Non HAtoms44
NonCHAtoms12
Electronegative Atoms12
StereoCenters4
Rotatable Bond5
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms8
Symmetricatoms4
Amides1
StereoConunknown chirality

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