[2-[[4-(4-fluorophenyl)-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:C30H27N6O2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[[4-(4-fluorophenyl)-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-(4-fluorophenyl)-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
MolecularFormula	C30H27N6O2FS2
Smiles	O=C(c1csc(CSc2nnc(-c3ccco3)n2-c(cc2)ccc2F)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C30H27FN6O2S2/c31-23-10-12-24(13-11-23)37-28(26-9-5-19-39-26)33-34-30(37)41-21-27-32-25(20-40-27)29(38)36-17-15-35(16-18-36)14-4-8-22-6-2-1-3-7-22/h1-13,19-20H,14-18,21H2
InChIK	GEXOXKDCFLVWPW-UHFFFAOYSA-N
TotalMolweight	586.714
Molweight	586.714
MonoisotopicMass	586.162092
CLogP	4.912
CLogS	-7.968
H Acceptors	8
TotalSurfaceArea	441.16
Relative PSA	0.2536
PolarSurfaceArea	133.83
Druglikeness	8.9644
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.58537
Fragments	1
Non HAtoms	41
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	8
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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1 - [2-[[4-(4-fluorophenyl)-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 | 2 - [2-[[4-(4-fluorophenyl)-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

Request More Details | [2-[[4-(4-fluorophenyl)-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

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