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

Formula:C31H28N7OFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[[4-(2-fluorophenyl)-5-pyridin-4-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-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
MolecularFormula	C31H28N7OFS2
Smiles	O=C(c1csc(CSc2nnc(-c3ccncc3)n2-c(cccc2)c2F)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C31H28FN7OS2/c32-25-10-4-5-11-27(25)39-29(24-12-14-33-15-13-24)35-36-31(39)42-22-28-34-26(21-41-28)30(40)38-19-17-37(18-20-38)16-6-9-23-7-2-1-3-8-23/h1-15,21H,16-20,22H2
InChIK	HXFUMAIMLLYUHB-UHFFFAOYSA-N
TotalMolweight	597.741
Molweight	597.741
MonoisotopicMass	597.178076
CLogP	4.6854
CLogS	-7.823
H Acceptors	8
TotalSurfaceArea	450.23
Relative PSA	0.24152
PolarSurfaceArea	133.58
Druglikeness	9.274
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	42
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	8
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

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1 - [2-[[4-(2-fluorophenyl)-5-pyridin-4-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-(2-fluorophenyl)-5-pyridin-4-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-(2-fluorophenyl)-5-pyridin-4-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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