[2-[[4,5-bis(2-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-[[4,5-bis(2-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-[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
MolecularFormula	C32H28N6OCl2S2
Smiles	O=C(c1csc(CSc2nnc(-c(cccc3)c3Cl)n2-c(cccc2)c2Cl)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C32H28Cl2N6OS2/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
InChIK	PGCMMOMYKOGUJY-UHFFFAOYSA-N
TotalMolweight	647.653
Molweight	647.653
MonoisotopicMass	646.114303
CLogP	6.7975
CLogS	-9.776
H Acceptors	7
TotalSurfaceArea	475.96
Relative PSA	0.20542
PolarSurfaceArea	120.69
Druglikeness	10.628
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55814
Fragments	1
Non HAtoms	43
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	8
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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

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