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

Formula:C30H26N6O2Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[[4-(2,4-dichlorophenyl)-5-(furan-2-yl)-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-[[4-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
MolecularFormulaC30H26N6O2Cl2S2
SmilesO=C(c1csc(CSc2nnc(-c3ccco3)n2-c(ccc(Cl)c2)c2Cl)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C30H26Cl2N6O2S2/c31-22-10-11-25(23(32)18-22)38-28(26-9-5-17-40-26)34-35-30(38)42-20-27-33-24(19-41-27)29(39)37-15-13-36(14-16-37)12-4-8-21-6-2-1-3-7-21/h1-11,17-19H,12-16,20H2
InChIKOYRXYVNCDQBZDF-UHFFFAOYSA-N
TotalMolweight637.614
Molweight637.614
MonoisotopicMass636.093568
CLogP6.0232
CLogS-9.126
H Acceptors8
TotalSurfaceArea465.65
Relative PSA0.24027
PolarSurfaceArea133.83
Druglikeness10.337
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.57143
Fragments1
Non HAtoms42
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms8
Symmetricatoms4
Amides1
Amines1
AlkylAmines1
Aromatic Nitrogens4
BasicNitrogens1
StereoCon

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