(E)-3-(2-bromophenyl)-1-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

Formula:C23H20N3O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-bromophenyl)-1-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-bromophenyl)-1-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one
MolecularFormula	C23H20N3O3BrS
Smiles	[O-][N+](c(cccc1)c1-c1csc(C(CC2)CCN2C(/C=C/c(cccc2)c2Br)=O)n1)=O
InChI	InChI=1S/C23H20BrN3O3S/c24-19-7-3-1-5-16(19)9-10-22(28)26-13-11-17(12-14-26)23-25-20(15-31-23)18-6-2-4-8-21(18)27(29)30/h1-10,15,17H,11-14H2
InChIK	GAAGCZMTZNPCRX-UHFFFAOYSA-N
TotalMolweight	498.4
Molweight	498.4
MonoisotopicMass	497.040873
CLogP	4.9554
CLogS	-5.92
H Acceptors	6
TotalSurfaceArea	338.37
Relative PSA	0.23152
PolarSurfaceArea	107.26
Druglikeness	-2.2417
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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