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

Formula:C24H24N5O3FS 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-(4-nitrophenyl)prop-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-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C24H24N5O3FS
Smiles	[O-][N+](c1ccc(/C=C/C(NCC(CC2)CCN2c2nc(Cc(cc3)ccc3F)ns2)=O)cc1)=O
InChI	InChI=1S/C24H24FN5O3S/c25-20-6-1-18(2-7-20)15-22-27-24(34-28-22)29-13-11-19(12-14-29)16-26-23(31)10-5-17-3-8-21(9-4-17)30(32)33/h1-10,19H,11-16H2,(H,26,31)
InChIK	USPCONLXAOYHRU-UHFFFAOYSA-N
TotalMolweight	481.551
Molweight	481.551
MonoisotopicMass	481.158388
CLogP	4.0584
CLogS	-4.503
H Acceptors	8
H Donors	1
TotalSurfaceArea	363.83
Relative PSA	0.27697
PolarSurfaceArea	132.18
Druglikeness	-1.6839
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.70588
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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