4-(4-fluorophenyl)-2-[(E)-2-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole

Formula:C22H20N3O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(4-fluorophenyl)-2-[(E)-2-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole is a drug-like molecule.

MolName	4-(4-fluorophenyl)-2-[(E)-2-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole
MolecularFormula	C22H20N3O2FS
Smiles	[O-][N+](c(cc(/C=C/c1nc(-c(cc2)ccc2F)cs1)cc1)c1N1CCCCC1)=O
InChI	InChI=1S/C22H20FN3O2S/c23-18-8-6-17(7-9-18)19-15-29-22(24-19)11-5-16-4-10-20(21(14-16)26(27)28)25-12-2-1-3-13-25/h4-11,14-15H,1-3,12-13H2
InChIK	GSSOYIDGYDGIDF-UHFFFAOYSA-N
TotalMolweight	409.484
Molweight	409.484
MonoisotopicMass	409.126025
CLogP	4.4591
CLogS	-6.326
H Acceptors	5
TotalSurfaceArea	309.6
Relative PSA	0.21092
PolarSurfaceArea	90.19
Druglikeness	-3.6872
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - 4-(4-fluorophenyl)-2-[(E)-2-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole | 2 - 4-(4-fluorophenyl)-2-[(E)-2-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole

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