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

Formula:C32H24N6O3Cl4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[2-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]-5-(2,6-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione is not a drug-like molecule.
MolName3-[2-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]-5-(2,6-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
MolecularFormulaC32H24N6O3Cl4
SmilesO=C(CN(C1C(N2c(c(Cl)ccc3)c3Cl)=O)N=NC1C2=O)N(C(C1CCC2)c(cc3)ccc3Cl)N=C1/C2=C/c(cc1)ccc1Cl
InChIInChI=1S/C32H24Cl4N6O3/c33-20-11-7-17(8-12-20)15-19-3-1-4-22-26(19)38-42(28(22)18-9-13-21(34)14-10-18)25(43)16-40-30-27(37-39-40)31(44)41(32(30)45)29-23(35)5-2-6-24(29)36/h2,5-15,22,27-28,30H,1,3-4,16H2
InChIKTZYIEBHTHCNQGD-UHFFFAOYSA-N
TotalMolweight682.394
Molweight682.394
MonoisotopicMass680.066397
CLogP5.6182
CLogS-8.314
H Acceptors9
TotalSurfaceArea460.35
Relative PSA0.18312
PolarSurfaceArea98.01
Druglikeness-1.2751
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functions
Shape Index0.44444
Fragments1
Non HAtoms45
NonCHAtoms13
Electronegative Atoms13
StereoCenters4
Rotatable Bond5
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms8
Symmetricatoms7
Amides1
StereoConunknown chirality

Request More Details | 3-[2-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]-5-(2,6-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione


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