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5-(4-chlorophenyl)-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:C32H25N6O3ClF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(4-chlorophenyl)-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-(4-chlorophenyl)-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
MolecularFormulaC32H25N6O3ClF2
SmilesO=C(CN(C1C(N2c(cc3)ccc3Cl)=O)N=NC1C2=O)N(C(C1CCC2)c(cc3)ccc3F)N=C1/C2=C/c(cc1)ccc1F
InChIInChI=1S/C32H25ClF2N6O3/c33-21-8-14-24(15-9-21)40-31(43)28-30(32(40)44)39(38-36-28)17-26(42)41-29(19-6-12-23(35)13-7-19)25-3-1-2-20(27(25)37-41)16-18-4-10-22(34)11-5-18/h4-16,25,28-30H,1-3,17H2
InChIKNXCSHZCCIKVXMR-UHFFFAOYSA-N
TotalMolweight615.038
Molweight615.038
MonoisotopicMass614.164472
CLogP4.0018
CLogS-6.734
H Acceptors9
TotalSurfaceArea426.79
Relative PSA0.19752
PolarSurfaceArea98.01
Druglikeness-2.6151
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.47727
Fragments1
Non HAtoms44
NonCHAtoms12
Electronegative Atoms12
StereoCenters4
Rotatable Bond5
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms8
Symmetricatoms6
Amides1
StereoConunknown chirality

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