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[2-[[5-(2-chlorophenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Formula:C32H28N6OClFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[[5-(2-chlorophenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.
MolName[2-[[5-(2-chlorophenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
MolecularFormulaC32H28N6OClFS2
SmilesO=C(c1csc(CSc2nnc(-c(cccc3)c3Cl)n2-c(cccc2)c2F)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C32H28ClFN6OS2/c33-25-13-5-4-12-24(25)30-36-37-32(40(30)28-15-7-6-14-26(28)34)43-22-29-35-27(21-42-29)31(41)39-19-17-38(18-20-39)16-8-11-23-9-2-1-3-10-23/h1-15,21H,16-20,22H2
InChIKZHNZKWJTNHACNZ-UHFFFAOYSA-N
TotalMolweight631.198
Molweight631.198
MonoisotopicMass630.143854
CLogP6.2923
CLogS-9.354
H Acceptors7
TotalSurfaceArea466.89
Relative PSA0.20941
PolarSurfaceArea120.69
Druglikeness9.2883
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55814
Fragments1
Non HAtoms43
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms8
Symmetricatoms4
Amides1
Amines1
AlkylAmines1
Aromatic Nitrogens4
BasicNitrogens1
StereoCon

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