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

Formula:C32H28N6OCl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[[5-(2-chlorophenyl)-4-(3-chlorophenyl)-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-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
MolecularFormulaC32H28N6OCl2S2
SmilesO=C(c1csc(CSc2nnc(-c(cccc3)c3Cl)n2-c2cc(Cl)ccc2)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C32H28Cl2N6OS2/c33-24-11-6-12-25(20-24)40-30(26-13-4-5-14-27(26)34)36-37-32(40)43-22-29-35-28(21-42-29)31(41)39-18-16-38(17-19-39)15-7-10-23-8-2-1-3-9-23/h1-14,20-21H,15-19,22H2
InChIKFBGYJLRWPNCGMT-UHFFFAOYSA-N
TotalMolweight647.653
Molweight647.653
MonoisotopicMass646.114303
CLogP6.7975
CLogS-9.776
H Acceptors7
TotalSurfaceArea475.96
Relative PSA0.20542
PolarSurfaceArea120.69
Druglikeness10.628
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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