(E)-N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-3-phenylprop-2-enamide

Formula:C24H25N4OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-3-phenylprop-2-enamide
MolecularFormula	C24H25N4OFS
Smiles	O=C(/C=C/c1ccccc1)NCC(CC1)CCN1c1nc(Cc(cc2)ccc2F)ns1
InChI	InChI=1S/C24H25FN4OS/c25-21-9-6-19(7-10-21)16-22-27-24(31-28-22)29-14-12-20(13-15-29)17-26-23(30)11-8-18-4-2-1-3-5-18/h1-11,20H,12-17H2,(H,26,30)
InChIK	ILJKKZDWVJKWLO-UHFFFAOYSA-N
TotalMolweight	436.554
Molweight	436.554
MonoisotopicMass	436.173309
CLogP	4.98
CLogS	-4.043
H Acceptors	5
H Donors	1
TotalSurfaceArea	340.16
Relative PSA	0.20681
PolarSurfaceArea	86.36
Druglikeness	3.3429
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70968
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (E)-N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-3-phenylprop-2-enamide | 2 - (E)-N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-3-phenylprop-2-enamide

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